 Entering Gaussian System, Link 0=g16
 Input=22_phenylethanamine_conformer02_STD_M11_def2SVPD.in
 Output=22_phenylethanamine_conformer02_STD_M11_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_def2SVPD/Gau-255681.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    255707.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=22_phenylethanamine_conformer02_STD_M11_def2SVPD
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 21:46:10 2021, MaxMem=  5368709120 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "22_phenylethanamine_conformer02_STD_M11_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.772654000000      1.254975000000      0.322747000000
  C                                                 0.398664000000      1.096214000000      0.195259000000
  C                                                -0.142652000000     -0.142756000000     -0.146542000000
  C                                                 0.720678000000     -1.214760000000     -0.360157000000
  C                                                 2.095925000000     -1.060117000000     -0.230036000000
  C                                                 2.626396000000      0.177369000000      0.112866000000
  C                                                -1.641706000000     -0.341888000000     -0.237223000000
  N                                                -2.275754000000      0.831618000000     -0.845752000000
  C                                                -2.248939000000     -0.563784000000      1.149323000000
  H                                                -3.279530000000      0.704813000000     -0.898651000000
  H                                                -1.809734000000     -1.256656000000     -0.824262000000
  H                                                -2.083473000000      0.313962000000      1.775341000000
  H                                                -1.795695000000     -1.428876000000      1.633948000000
  H                                                -3.325560000000     -0.738248000000      1.075630000000
  H                                                 0.311141000000     -2.180305000000     -0.634440000000
  H                                                 2.752158000000     -1.903833000000     -0.402347000000
  H                                                 3.697081000000      0.302924000000      0.210779000000
  H                                                 2.179271000000      2.223269000000      0.586598000000
  H                                                -0.268537000000      1.933636000000      0.348722000000
  H                                                -1.932969000000      0.976467000000     -1.788479000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     20 NQM=       20 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          14          12           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  14.0030740  12.0000000   1.0078250
 NucSpn=           0           0           0           0           0           0           0           2           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   4.5500000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   7.0000000   6.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Aug 12 21:46:11 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.772654    1.254975    0.322747
      2          6           0        0.398664    1.096214    0.195259
      3          6           0       -0.142652   -0.142756   -0.146542
      4          6           0        0.720678   -1.214760   -0.360157
      5          6           0        2.095925   -1.060117   -0.230036
      6          6           0        2.626396    0.177369    0.112866
      7          6           0       -1.641706   -0.341888   -0.237223
      8          7           0       -2.275754    0.831618   -0.845752
      9          6           0       -2.248939   -0.563784    1.149323
     10          1           0       -3.279530    0.704813   -0.898651
     11          1           0       -1.809734   -1.256656   -0.824262
     12          1           0       -2.083473    0.313962    1.775341
     13          1           0       -1.795695   -1.428876    1.633948
     14          1           0       -3.325560   -0.738248    1.075630
     15          1           0        0.311141   -2.180305   -0.634440
     16          1           0        2.752158   -1.903833   -0.402347
     17          1           0        3.697081    0.302924    0.210779
     18          1           0        2.179271    2.223269    0.586598
     19          1           0       -0.268537    1.933636    0.348722
     20          1           0       -1.932969    0.976467   -1.788479
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.388995   0.000000
     3  C    2.417081   1.394596   0.000000
     4  C    2.769946   2.398496   1.392897   0.000000
     5  C    2.402025   2.776929   2.420692   1.390018   0.000000
     6  C    1.390741   2.411194   2.799536   2.406976   1.389371
     7  C    3.810694   2.533434   1.514939   2.521483   3.806020
     8  N    4.234882   2.882052   2.447126   3.660884   4.803056
     9  C    4.490470   3.267359   2.508580   3.394249   4.585501
    10  H    5.226763   3.857324   3.335273   4.469497   5.697152
    11  H    4.522988   3.384146   2.116422   2.572962   3.955490
    12  H    4.226730   3.044599   2.769298   3.841953   4.834976
    13  H    4.653538   3.641582   2.748964   3.217831   4.330719
    14  H    5.525537   4.243837   3.461101   4.319790   5.585773
    15  H    3.854008   3.381070   2.143730   1.084080   2.145651
    16  H    3.385743   3.859579   3.398051   2.145580   1.082677
    17  H    2.149967   3.392507   3.881992   3.389441   2.148464
    18  H    1.082843   2.143353   3.395128   3.852776   3.384444
    19  H    2.151213   1.081658   2.138349   3.375419   3.858523
    20  H    4.273931   3.063669   2.674669   3.726046   4.775815
                    6          7          8          9         10
     6  C    0.000000
     7  C    4.313802   0.000000
     8  N    5.037665   1.466097   0.000000
     9  C    5.039091   1.529863   2.434787   0.000000
    10  H    6.015091   2.053177   1.013136   2.620239   0.000000
    11  H    4.755406   1.099840   2.139749   2.137290   2.452182
    12  H    4.996533   2.162339   2.678632   1.090741   2.955258
    13  H    4.944553   2.169455   3.389573   1.090264   3.628836
    14  H    6.098446   2.171647   2.694120   1.093152   2.445880
    15  H    3.387846   2.711304   3.975973   3.514109   4.613744
    16  H    2.147711   4.666152   5.741010   5.405033   6.590342
    17  H    1.082459   5.396215   6.088558   6.081710   7.075694
    18  H    2.147103   4.675316   4.882168   5.262449   5.857489
    19  H    3.394221   2.721568   2.582660   3.286345   3.483106
    20  H    5.004146   2.056524   1.013517   3.332100   1.636709
                   11         12         13         14         15
    11  H    0.000000
    12  H    3.049543   0.000000
    13  H    2.464275   1.772087   0.000000
    14  H    2.485169   1.771869   1.768947   0.000000
    15  H    2.321049   4.214569   3.185748   4.269597   0.000000
    16  H    4.626847   5.748414   5.005502   6.362520   2.467563
    17  H    5.816237   5.988554   5.932548   7.151887   4.283154
    18  H    5.478372   4.819704   5.498678   6.270000   4.936832
    19  H    3.732177   2.820032   3.910307   4.124651   4.269326
    20  H    2.435516   3.627999   4.185394   3.616998   4.041416
                   16         17         18         19         20
    16  H    0.000000
    17  H    2.477616   0.000000
    18  H    4.282427   2.476431   0.000000
    19  H    4.941141   4.290032   2.476335   0.000000
    20  H    5.671676   6.012334   4.909789   2.873001   0.000000
 Stoichiometry    C8H11N
 Framework group  C1[X(C8H11N)]
 Deg. of freedom    54
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.03D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.772654    1.254975    0.322747
      2          6           0        0.398664    1.096214    0.195259
      3          6           0       -0.142652   -0.142756   -0.146542
      4          6           0        0.720678   -1.214760   -0.360157
      5          6           0        2.095925   -1.060117   -0.230036
      6          6           0        2.626396    0.177369    0.112866
      7          6           0       -1.641706   -0.341888   -0.237223
      8          7           0       -2.275754    0.831618   -0.845752
      9          6           0       -2.248939   -0.563784    1.149323
     10          1           0       -3.279530    0.704813   -0.898651
     11          1           0       -1.809734   -1.256656   -0.824262
     12          1           0       -2.083473    0.313962    1.775341
     13          1           0       -1.795695   -1.428876    1.633948
     14          1           0       -3.325560   -0.738248    1.075630
     15          1           0        0.311141   -2.180305   -0.634440
     16          1           0        2.752158   -1.903833   -0.402347
     17          1           0        3.697081    0.302924    0.210779
     18          1           0        2.179271    2.223269    0.586598
     19          1           0       -0.268537    1.933636    0.348722
     20          1           0       -1.932969    0.976467   -1.788479
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.4441865           1.1140904           0.9851179
 Leave Link  202 at Thu Aug 12 21:46:11 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      10     11     12     13     14     15     16     17     18     19
 Centers:      20
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      9
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       8
 S 5 1.00
     Exponent=  1.7128415853D+03 Coefficients= -5.3934125305D-03
     Exponent=  2.5764812677D+02 Coefficients= -4.0221581118D-02
     Exponent=  5.8458245853D+01 Coefficients= -1.7931144990D-01
     Exponent=  1.6198367905D+01 Coefficients= -4.6376317823D-01
     Exponent=  5.0052600809D+00 Coefficients= -4.4171422662D-01
 S 1 1.00
     Exponent=  5.8731856571D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.8764592253D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.6171241529D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.3571470233D+01 Coefficients= -4.0072398852D-02
     Exponent=  2.9257372874D+00 Coefficients= -2.1807045028D-01
     Exponent=  7.9927750754D-01 Coefficients= -5.1294466049D-01
 P 1 1.00
     Exponent=  2.1954348034D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.0000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.6697708112D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   286 symmetry adapted cartesian basis functions of A   symmetry.
 There are   268 symmetry adapted basis functions of A   symmetry.
   268 basis functions,   398 primitive gaussians,   286 cartesian basis functions
    33 alpha electrons       33 beta electrons
       nuclear repulsion energy       425.7450469049 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   20 NActive=   20 NUniq=   20 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Aug 12 21:46:11 2021, MaxMem=  5368709120 cpu:               4.7 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   268 RedAO= T EigKep=  5.02D-06  NBF=   268
 NBsUse=   268 1.00D-06 EigRej= -1.00D+00 NBFU=   268
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   286   286   286   286   286 MxSgAt=    20 MxSgA2=    20.
 Leave Link  302 at Thu Aug 12 21:46:12 2021, MaxMem=  5368709120 cpu:               2.1 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 21:46:12 2021, MaxMem=  5368709120 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "22_phenylethanamine_conformer02_STD_M11_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 21:46:12 2021, MaxMem=  5368709120 cpu:               1.9 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368540348 LenY=  5368458111
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -365.713085616200    
 DIIS: error= 4.94D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -365.713085616200     IErMin= 1 ErrMin= 4.94D-03
 ErrMax= 4.94D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.26D-02 BMatP= 1.26D-02
 IDIUse=3 WtCom= 9.51D-01 WtEn= 4.94D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.405 Goal=   None    Shift=    0.000
 GapD=    0.405 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=1.42D-02 MaxDP=4.08D-01              OVMax= 2.13D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.10D-02    CP:  1.27D+00
 E= -365.727084843779     Delta-E=       -0.013999227578 Rises=F Damp=F
 DIIS: error= 6.95D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -365.727084843779     IErMin= 2 ErrMin= 6.95D-04
 ErrMax= 6.95D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.13D-04 BMatP= 1.26D-02
 IDIUse=3 WtCom= 9.93D-01 WtEn= 6.95D-03
 Coeff-Com: -0.947D-01 0.109D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.940D-01 0.109D+01
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=3.21D-03 MaxDP=9.83D-02 DE=-1.40D-02 OVMax= 7.31D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.28D-03    CP:  1.35D+00  1.15D+00
 E= -365.727643801175     Delta-E=       -0.000558957397 Rises=F Damp=F
 DIIS: error= 3.46D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -365.727643801175     IErMin= 3 ErrMin= 3.46D-04
 ErrMax= 3.46D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.13D-05 BMatP= 3.13D-04
 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.46D-03
 Coeff-Com: -0.457D-01 0.328D+00 0.717D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.456D-01 0.327D+00 0.718D+00
 Gap=     0.388 Goal=   None    Shift=    0.000
 RMSDP=2.16D-04 MaxDP=1.44D-02 DE=-5.59D-04 OVMax= 2.60D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.71D-04    CP:  1.35D+00  1.16D+00  1.04D+00
 E= -365.727705074215     Delta-E=       -0.000061273040 Rises=F Damp=F
 DIIS: error= 1.59D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -365.727705074215     IErMin= 4 ErrMin= 1.59D-04
 ErrMax= 1.59D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.43D-06 BMatP= 7.13D-05
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.59D-03
 Coeff-Com: -0.121D-02-0.559D-01 0.221D+00 0.836D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.121D-02-0.558D-01 0.221D+00 0.836D+00
 Gap=     0.388 Goal=   None    Shift=    0.000
 RMSDP=8.00D-05 MaxDP=2.79D-03 DE=-6.13D-05 OVMax= 1.28D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  6.94D-05    CP:  1.35D+00  1.16D+00  1.06D+00  1.18D+00
 E= -365.727716583396     Delta-E=       -0.000011509181 Rises=F Damp=F
 DIIS: error= 2.77D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -365.727716583396     IErMin= 5 ErrMin= 2.77D-05
 ErrMax= 2.77D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.53D-07 BMatP= 9.43D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.272D-02-0.291D-01-0.214D-01 0.141D+00 0.907D+00
 Coeff:      0.272D-02-0.291D-01-0.214D-01 0.141D+00 0.907D+00
 Gap=     0.388 Goal=   None    Shift=    0.000
 RMSDP=2.60D-05 MaxDP=1.65D-03 DE=-1.15D-05 OVMax= 4.76D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.74D-05    CP:  1.35D+00  1.15D+00  1.06D+00  1.27D+00  1.06D+00
 E= -365.727717447237     Delta-E=       -0.000000863841 Rises=F Damp=F
 DIIS: error= 6.19D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -365.727717447237     IErMin= 6 ErrMin= 6.19D-06
 ErrMax= 6.19D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.05D-08 BMatP= 4.53D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.656D-03-0.261D-02-0.191D-01-0.304D-01 0.167D+00 0.884D+00
 Coeff:      0.656D-03-0.261D-02-0.191D-01-0.304D-01 0.167D+00 0.884D+00
 Gap=     0.388 Goal=   None    Shift=    0.000
 RMSDP=9.54D-06 MaxDP=4.78D-04 DE=-8.64D-07 OVMax= 1.94D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  4.84D-06    CP:  1.35D+00  1.15D+00  1.06D+00  1.29D+00  1.12D+00
                    CP:  1.17D+00
 E= -365.727717556454     Delta-E=       -0.000000109217 Rises=F Damp=F
 DIIS: error= 3.14D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -365.727717556454     IErMin= 7 ErrMin= 3.14D-06
 ErrMax= 3.14D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.02D-08 BMatP= 5.05D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.292D-03 0.479D-02-0.189D-02-0.369D-01-0.119D+00 0.260D+00
 Coeff-Com:  0.893D+00
 Coeff:     -0.292D-03 0.479D-02-0.189D-02-0.369D-01-0.119D+00 0.260D+00
 Coeff:      0.893D+00
 Gap=     0.388 Goal=   None    Shift=    0.000
 RMSDP=3.77D-06 MaxDP=3.18D-04 DE=-1.09D-07 OVMax= 1.02D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.31D-06    CP:  1.35D+00  1.15D+00  1.06D+00  1.30D+00  1.13D+00
                    CP:  1.31D+00  1.17D+00
 E= -365.727717578090     Delta-E=       -0.000000021636 Rises=F Damp=F
 DIIS: error= 1.10D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -365.727717578090     IErMin= 8 ErrMin= 1.10D-06
 ErrMax= 1.10D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.53D-10 BMatP= 1.02D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.145D-03 0.181D-02 0.863D-03-0.960D-02-0.504D-01 0.145D-01
 Coeff-Com:  0.285D+00 0.758D+00
 Coeff:     -0.145D-03 0.181D-02 0.863D-03-0.960D-02-0.504D-01 0.145D-01
 Coeff:      0.285D+00 0.758D+00
 Gap=     0.388 Goal=   None    Shift=    0.000
 RMSDP=1.37D-06 MaxDP=8.55D-05 DE=-2.16D-08 OVMax= 2.14D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  6.50D-07    CP:  1.35D+00  1.15D+00  1.06D+00  1.30D+00  1.13D+00
                    CP:  1.33D+00  1.27D+00  1.14D+00
 E= -365.727717579635     Delta-E=       -0.000000001545 Rises=F Damp=F
 DIIS: error= 3.55D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -365.727717579635     IErMin= 9 ErrMin= 3.55D-07
 ErrMax= 3.55D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.01D-10 BMatP= 9.53D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.124D-04-0.333D-03 0.463D-03 0.341D-02 0.650D-02-0.366D-01
 Coeff-Com: -0.663D-01 0.184D+00 0.909D+00
 Coeff:      0.124D-04-0.333D-03 0.463D-03 0.341D-02 0.650D-02-0.366D-01
 Coeff:     -0.663D-01 0.184D+00 0.909D+00
 Gap=     0.388 Goal=   None    Shift=    0.000
 RMSDP=5.38D-07 MaxDP=3.77D-05 DE=-1.55D-09 OVMax= 9.48D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.76D-07    CP:  1.35D+00  1.15D+00  1.06D+00  1.30D+00  1.12D+00
                    CP:  1.34D+00  1.30D+00  1.23D+00  1.14D+00
 E= -365.727717579866     Delta-E=       -0.000000000231 Rises=F Damp=F
 DIIS: error= 1.02D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -365.727717579866     IErMin=10 ErrMin= 1.02D-07
 ErrMax= 1.02D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.17D-12 BMatP= 1.01D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.139D-04-0.213D-03 0.551D-04 0.149D-02 0.521D-02-0.976D-02
 Coeff-Com: -0.366D-01-0.221D-01 0.203D+00 0.859D+00
 Coeff:      0.139D-04-0.213D-03 0.551D-04 0.149D-02 0.521D-02-0.976D-02
 Coeff:     -0.366D-01-0.221D-01 0.203D+00 0.859D+00
 Gap=     0.388 Goal=   None    Shift=    0.000
 RMSDP=1.31D-07 MaxDP=5.66D-06 DE=-2.31D-10 OVMax= 2.49D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  8.70D-08    CP:  1.35D+00  1.15D+00  1.06D+00  1.30D+00  1.12D+00
                    CP:  1.34D+00  1.31D+00  1.24D+00  1.22D+00  1.20D+00
 E= -365.727717579907     Delta-E=       -0.000000000041 Rises=F Damp=F
 DIIS: error= 4.27D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -365.727717579907     IErMin=11 ErrMin= 4.27D-08
 ErrMax= 4.27D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.87D-13 BMatP= 8.17D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.174D-05-0.790D-05-0.347D-04-0.690D-04 0.345D-03 0.212D-02
 Coeff-Com:  0.467D-04-0.270D-01-0.649D-01 0.172D+00 0.917D+00
 Coeff:      0.174D-05-0.790D-05-0.347D-04-0.690D-04 0.345D-03 0.212D-02
 Coeff:      0.467D-04-0.270D-01-0.649D-01 0.172D+00 0.917D+00
 Gap=     0.388 Goal=   None    Shift=    0.000
 RMSDP=5.90D-08 MaxDP=2.47D-06 DE=-4.06D-11 OVMax= 9.07D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  2.60D-08    CP:  1.35D+00  1.15D+00  1.06D+00  1.30D+00  1.12D+00
                    CP:  1.34D+00  1.31D+00  1.25D+00  1.24D+00  1.31D+00
                    CP:  1.27D+00
 E= -365.727717579902     Delta-E=        0.000000000005 Rises=F Damp=F
 DIIS: error= 1.61D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -365.727717579907     IErMin=12 ErrMin= 1.61D-08
 ErrMax= 1.61D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.33D-13 BMatP= 9.87D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.124D-05 0.231D-04-0.132D-04-0.193D-03-0.582D-03 0.164D-02
 Coeff-Com:  0.472D-02-0.249D-02-0.382D-01-0.738D-01 0.201D+00 0.908D+00
 Coeff:     -0.124D-05 0.231D-04-0.132D-04-0.193D-03-0.582D-03 0.164D-02
 Coeff:      0.472D-02-0.249D-02-0.382D-01-0.738D-01 0.201D+00 0.908D+00
 Gap=     0.388 Goal=   None    Shift=    0.000
 RMSDP=2.75D-08 MaxDP=8.65D-07 DE= 5.46D-12 OVMax= 3.72D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  8.97D-09    CP:  1.35D+00  1.15D+00  1.06D+00  1.30D+00  1.12D+00
                    CP:  1.34D+00  1.31D+00  1.25D+00  1.25D+00  1.34D+00
                    CP:  1.38D+00  1.17D+00
 E= -365.727717579898     Delta-E=        0.000000000003 Rises=F Damp=F
 DIIS: error= 8.41D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=11 EnMin= -365.727717579907     IErMin=13 ErrMin= 8.41D-09
 ErrMax= 8.41D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.56D-14 BMatP= 1.33D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.138D-06-0.331D-08 0.391D-05 0.169D-04-0.117D-04-0.351D-03
 Coeff-Com: -0.179D-03 0.338D-02 0.952D-02-0.199D-01-0.114D+00-0.369D-02
 Coeff-Com:  0.113D+01
 Coeff:     -0.138D-06-0.331D-08 0.391D-05 0.169D-04-0.117D-04-0.351D-03
 Coeff:     -0.179D-03 0.338D-02 0.952D-02-0.199D-01-0.114D+00-0.369D-02
 Coeff:      0.113D+01
 Gap=     0.388 Goal=   None    Shift=    0.000
 RMSDP=6.67D-09 MaxDP=2.71D-07 DE= 3.30D-12 OVMax= 2.24D-07

 SCF Done:  E(RM11) =  -365.727717580     A.U. after   13 cycles
            NFock= 13  Conv=0.67D-08     -V/T= 2.0124
 KE= 3.612484014432D+02 PE=-1.697613109895D+03 EE= 5.448919439667D+02
 Leave Link  502 at Thu Aug 12 21:47:46 2021, MaxMem=  5368709120 cpu:             749.1 elap:              93.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   268
 NBasis=   268 NAE=    33 NBE=    33 NFC=     0 NFV=     0
 NROrb=    268 NOA=    33 NOB=    33 NVA=   235 NVB=   235

 **** Warning!!: The largest alpha MO coefficient is  0.83321983D+02

 Leave Link  801 at Thu Aug 12 21:47:47 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         6045 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          20
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.29D-13 8.33D-09 XBig12= 1.00D+00 3.21D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.29D-13 8.33D-09 XBig12= 1.79D-01 6.55D-02.
     11 vectors produced by pass  2 Test12= 1.29D-13 8.33D-09 XBig12= 2.76D-02 4.59D-02.
     11 vectors produced by pass  3 Test12= 1.29D-13 8.33D-09 XBig12= 2.49D-03 1.19D-02.
     11 vectors produced by pass  4 Test12= 1.29D-13 8.33D-09 XBig12= 1.67D-04 3.45D-03.
     11 vectors produced by pass  5 Test12= 1.29D-13 8.33D-09 XBig12= 1.04D-05 4.47D-04.
     11 vectors produced by pass  6 Test12= 1.29D-13 8.33D-09 XBig12= 3.67D-07 1.13D-04.
     11 vectors produced by pass  7 Test12= 1.29D-13 8.33D-09 XBig12= 8.42D-09 1.80D-05.
     11 vectors produced by pass  8 Test12= 1.29D-13 8.33D-09 XBig12= 1.69D-10 2.17D-06.
     11 vectors produced by pass  9 Test12= 1.29D-13 8.33D-09 XBig12= 3.33D-12 2.51D-07.
      6 vectors produced by pass 10 Test12= 1.29D-13 8.33D-09 XBig12= 6.65D-14 4.41D-08.
      2 vectors produced by pass 11 Test12= 1.29D-13 8.33D-09 XBig12= 1.27D-14 2.22D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.49D-14
 Solved reduced A of dimension   118 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.132042D+03
      2  0.253159D+00  0.106230D+03
      3  0.118362D+01  0.582821D+01  0.766105D+02
 Isotropic polarizability for W=    0.085645      104.96 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.663851D+02  0.481405D+01  0.326562D+01
      2  -0.179866D+02 -0.641269D+01 -0.786015D+01
      3  -0.483984D+02  0.159864D+01  0.459453D+01
      4  -0.608150D+01  0.614956D+02  0.346412D+02
      5   0.197029D+02  0.357719D+02 -0.337353D+02
      6   0.147246D+02  0.506652D+01 -0.394009D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.152886D+01  0.213139D+01  0.919854D+00
      2   0.375865D+01  0.140955D+02 -0.128050D+02
      3  -0.361290D+01 -0.309365D+02 -0.131617D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.113079D+01  0.129267D+02  0.553873D+01
      2  -0.164372D+02  0.199165D+02  0.146632D+02
      3  -0.108956D+02 -0.794823D+02 -0.210473D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.749590D+00 -0.191133D+01  0.366009D-02
      2  -0.191133D+01 -0.236615D+01  0.283299D+01
      3   0.366009D-02  0.283299D+01  0.102149D+01
 OR G Eigenvalues:    -4.5122     0.8337     3.0834  Iso=     0.1984
 Eigenvectors:
   (1)   0.307903   0.846803  -0.433729
   (2)   0.846939  -0.036256   0.530453
   (3)  -0.433464   0.530670   0.728353
 w=    0.085645 a.u., Optical Rotation Beta=      0.1984 au.
 Molar Mass =    121.1816 grams/mole, [Alpha] ( 5320.0 A) =       77.63 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   36046 ScalPx= 9.40D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   36046 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.78D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.15D-14 2.78D-09 XBig12= 1.00D+00 3.64D-01.
     30 vectors produced by pass  1 Test12= 2.15D-14 2.78D-09 XBig12= 4.26D-02 4.53D-02.
     30 vectors produced by pass  2 Test12= 2.15D-14 2.78D-09 XBig12= 1.99D-03 6.37D-03.
     30 vectors produced by pass  3 Test12= 2.15D-14 2.78D-09 XBig12= 2.81D-05 8.45D-04.
     30 vectors produced by pass  4 Test12= 2.15D-14 2.78D-09 XBig12= 3.78D-07 8.12D-05.
     30 vectors produced by pass  5 Test12= 2.15D-14 2.78D-09 XBig12= 4.84D-09 8.92D-06.
     30 vectors produced by pass  6 Test12= 2.15D-14 2.78D-09 XBig12= 5.25D-11 9.64D-07.
     30 vectors produced by pass  7 Test12= 2.15D-14 2.78D-09 XBig12= 5.58D-13 9.72D-08.
     16 vectors produced by pass  8 Test12= 2.15D-14 2.78D-09 XBig12= 5.60D-15 6.81D-09.
      7 vectors produced by pass  9 Test12= 2.15D-14 2.78D-09 XBig12= 2.98D-15 8.16D-09.
      3 vectors produced by pass 10 Test12= 2.15D-14 2.78D-09 XBig12= 2.66D-15 7.22D-09.
      1 vectors produced by pass 11 Test12= 2.15D-14 2.78D-09 XBig12= 5.63D-16 2.97D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   267 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   36046 ScalPx= 3.96D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   36046 ScalPx= 3.96D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   36046 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.18D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.132042D+03  0.253159D+00  0.118362D+01
      2   0.253159D+00  0.106230D+03  0.582821D+01
      3   0.118362D+01  0.582821D+01  0.766105D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.152886D+01  0.213139D+01  0.919854D+00
      2   0.375865D+01  0.140955D+02 -0.128050D+02
      3  -0.361290D+01 -0.309365D+02 -0.131617D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.663851D+02  0.481405D+01  0.326562D+01
      2  -0.179866D+02 -0.641269D+01 -0.786015D+01
      3  -0.483984D+02  0.159864D+01  0.459453D+01
      4  -0.608150D+01  0.614956D+02  0.346412D+02
      5   0.197029D+02  0.357719D+02 -0.337353D+02
      6   0.147246D+02  0.506652D+01 -0.394009D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.358498D+01 -0.475423D+00 -0.982897D-01  0.457352D+01  0.269146D-01
      2  -0.475423D+00  0.188403D+01 -0.361947D+00  0.269146D-01  0.918068D+00
      3  -0.982897D-01 -0.361947D+00  0.745319D+00 -0.443532D+00 -0.111720D+01
                 6             7             8             9            10 
      1  -0.443532D+00  0.639670D+00 -0.827868D+00  0.177466D+01  0.337518D+01
      2  -0.111720D+01 -0.827868D+00 -0.143944D+01  0.311249D+01 -0.596896D+00
      3   0.150535D+01  0.177466D+01  0.311249D+01  0.267287D+01  0.703148D-01
                11            12            13            14            15 
      1  -0.596896D+00  0.703148D-01  0.761083D+01  0.477507D-01  0.145708D+00
      2  -0.289639D+01 -0.529448D+00  0.477507D-01  0.170187D+01 -0.763398D+00
      3  -0.529448D+00 -0.164139D+01  0.145708D+00 -0.763398D+00  0.166497D+01
                16            17            18            19            20 
      1   0.252386D+01  0.157653D-01 -0.172680D+01 -0.161031D+02 -0.204694D+01
      2   0.157653D-01 -0.159605D+01  0.290239D+01 -0.204694D+01 -0.240805D+01
      3  -0.172680D+01  0.290239D+01  0.119022D+01  0.438404D+00  0.115002D+00
                21            22            23            24            25 
      1   0.438404D+00 -0.288608D+01  0.106263D+01  0.142071D+01 -0.957423D+00
      2   0.115002D+00  0.106263D+01 -0.360252D+00 -0.381416D+00  0.130994D+01
      3  -0.194407D+01  0.142071D+01 -0.381416D+00 -0.122401D+00 -0.376865D+01
                26            27            28            29            30 
      1   0.130994D+01 -0.376865D+01  0.470125D+01  0.228675D+01  0.587380D+00
      2  -0.579037D+00 -0.535274D+00  0.228675D+01 -0.197790D+01 -0.152372D+00
      3  -0.535274D+00 -0.548217D+00  0.587380D+00 -0.152372D+00 -0.928927D+00
                31            32            33            34            35 
      1  -0.643445D+01 -0.488401D+00  0.308164D+00 -0.683163D+00  0.940846D+00
      2  -0.488401D+00 -0.164405D+01  0.122439D+01  0.940846D+00  0.134302D+01
      3   0.308164D+00  0.122439D+01 -0.148548D+01 -0.676071D+00 -0.306282D+01
                36            37            38            39            40 
      1  -0.676071D+00 -0.218925D+01 -0.603949D+00 -0.305152D+00 -0.486342D+01
      2  -0.306282D+01 -0.603949D+00  0.217483D+01  0.696039D+00 -0.872511D+00
      3  -0.303460D+01 -0.305152D+00  0.696039D+00  0.169962D+01 -0.100879D+01
                41            42            43            44            45 
      1  -0.872511D+00 -0.100879D+01 -0.151322D+01 -0.772534D+00  0.266051D+01
      2  -0.893865D+00  0.124250D+01 -0.772534D+00  0.176996D+01 -0.269368D+01
      3   0.124250D+01 -0.145428D+01  0.266051D+01 -0.269368D+01 -0.129030D+01
                46            47            48            49            50 
      1   0.491126D+01  0.300259D+00 -0.503854D+00  0.783395D+00 -0.103006D+00
      2   0.300259D+00  0.312040D+01  0.153480D+00 -0.103006D+00  0.248096D+00
      3  -0.503854D+00  0.153480D+00  0.251627D+01 -0.129532D+01 -0.573826D+00
                51            52            53            54            55 
      1  -0.129532D+01 -0.573764D-01 -0.132659D+01  0.498602D+01  0.312582D+01
      2  -0.573826D+00 -0.132659D+01  0.251191D-01  0.423609D+00  0.481668D+00
      3   0.297263D-01  0.498602D+01  0.423609D+00  0.746923D+00 -0.125707D+01
                56            57            58            59            60 
      1   0.481668D+00 -0.125707D+01  0.334126D+00  0.234824D+01 -0.205153D+01
      2   0.109470D+01 -0.102872D+01  0.234824D+01  0.482725D+01  0.364814D+01
      3  -0.102872D+01  0.234868D+01 -0.205153D+01  0.364814D+01  0.115690D+01
                61            62            63            64            65 
      1  -0.513447D+01 -0.179567D+01  0.477221D+01  0.662236D+01  0.128639D+01
      2  -0.179567D+01  0.317779D+01  0.259632D+01  0.128639D+01 -0.818326D+00
      3   0.477221D+01  0.259632D+01 -0.197089D+01  0.116977D+01  0.578743D+00
                66            67            68            69            70 
      1   0.116977D+01  0.351932D+01 -0.196326D+01  0.146438D+01  0.161325D+01
      2   0.578743D+00 -0.196326D+01  0.134465D+01 -0.184264D+01  0.335474D+00
      3  -0.186472D+01  0.146438D+01 -0.184264D+01 -0.208915D+00 -0.169504D+01
                71            72            73            74            75 
      1   0.335474D+00 -0.169504D+01  0.902108D+01  0.199582D+01  0.587664D-01
      2  -0.206817D+00 -0.111512D+01  0.199582D+01 -0.199366D+01  0.114130D+01
      3  -0.111512D+01  0.484506D+01  0.587664D-01  0.114130D+01 -0.277684D+01
                76            77            78            79            80 
      1   0.163016D+01 -0.187260D+01  0.140312D+01  0.529120D+01  0.178991D+01
      2  -0.187260D+01  0.355393D+00 -0.416380D+01  0.178991D+01 -0.298590D+01
      3   0.140312D+01 -0.416380D+01 -0.114216D+01 -0.418393D+01 -0.172665D+01
                81            82            83            84            85 
      1  -0.418393D+01 -0.119945D+02  0.883467D+00 -0.218121D+01 -0.329199D+00
      2  -0.172665D+01  0.883467D+00 -0.835315D+00  0.443180D+00 -0.552649D+00
      3   0.157869D+01 -0.218121D+01  0.443180D+00 -0.151305D+01  0.155109D-01
                86            87            88            89            90 
      1  -0.552649D+00  0.155109D-01 -0.592201D+00  0.223955D+00 -0.103636D+01
      2   0.458094D+00  0.120593D+00  0.223955D+00  0.333206D+00  0.222192D+00
      3   0.120593D+00 -0.363697D-01 -0.103636D+01  0.222192D+00 -0.626393D+00
                91            92            93            94            95 
      1   0.965276D-02 -0.143658D+01 -0.637100D+00 -0.254786D+01 -0.146065D+01
      2  -0.143658D+01 -0.114912D+01 -0.293806D+00 -0.146065D+01 -0.657287D+01
      3  -0.637100D+00 -0.293806D+00 -0.878888D+00 -0.467159D+00 -0.220876D+01
                96            97            98            99           100 
      1  -0.467159D+00 -0.631007D+00 -0.306379D+00 -0.125483D+01 -0.575959D+00
      2  -0.220876D+01 -0.306379D+00 -0.271958D+01 -0.217977D+01  0.587688D+00
      3  -0.219851D+01 -0.125483D+01 -0.217977D+01 -0.210395D+01  0.508226D+00
               101           102           103           104           105 
      1   0.587688D+00  0.508226D+00  0.162801D+01  0.488658D-02 -0.731895D+00
      2   0.403641D+00 -0.253693D-01  0.488658D-02  0.321022D+01  0.226501D+01
      3  -0.253693D-01  0.760652D+00 -0.731895D+00  0.226501D+01  0.318370D+01
               106           107           108           109           110 
      1   0.686794D+00 -0.292753D+00 -0.660014D-01  0.327237D+00 -0.112551D+01
      2  -0.292753D+00  0.190655D+01  0.173474D+01 -0.112551D+01  0.138218D+01
      3  -0.660014D-01  0.173474D+01  0.360292D+01  0.564927D+00 -0.894231D+00
               111           112           113           114           115 
      1   0.564927D+00 -0.164035D+01  0.543399D+00 -0.180154D+00  0.220193D+00
      2  -0.894231D+00  0.543399D+00 -0.463189D+01  0.281452D+01 -0.333527D+00
      3   0.154179D+01 -0.180154D+00  0.281452D+01 -0.250498D+01  0.570850D+00
               116           117           118           119           120 
      1  -0.333527D+00  0.570850D+00 -0.136288D+02 -0.208346D+01  0.170177D+01
      2   0.202072D+01 -0.180528D+01 -0.208346D+01 -0.121184D+01  0.330470D+00
      3  -0.180528D+01  0.263683D+01  0.170177D+01  0.330470D+00 -0.155065D+01
               121           122           123           124           125 
      1  -0.189823D+01 -0.160609D+01  0.158772D+00 -0.787041D+00 -0.194456D+00
      2  -0.160609D+01 -0.862602D+00  0.636999D+00 -0.194456D+00  0.119051D+00
      3   0.158772D+00  0.636999D+00 -0.201434D+00 -0.944357D+00 -0.727225D-01
               126           127           128           129           130 
      1  -0.944357D+00 -0.170581D+01 -0.173572D+01 -0.542123D+00 -0.149612D+01
      2  -0.727225D-01 -0.173572D+01 -0.201904D+01 -0.593461D+00 -0.197574D+01
      3  -0.612212D-01 -0.542123D+00 -0.593461D+00 -0.445439D+00 -0.535498D+00
               131           132           133           134           135 
      1  -0.197574D+01 -0.535498D+00 -0.652857D+00 -0.735593D+00 -0.164544D+00
      2  -0.799979D+01 -0.205236D+01 -0.735593D+00 -0.225833D+01 -0.750206D+00
      3  -0.205236D+01 -0.143025D+01 -0.164544D+00 -0.750206D+00 -0.514357D+00
               136           137           138           139           140 
      1   0.493359D+01 -0.381359D+01 -0.736800D+00 -0.365986D+01  0.435067D+01
      2  -0.381359D+01  0.347027D+01  0.533113D+00  0.435067D+01 -0.650151D+01
      3  -0.736800D+00  0.533113D+00  0.701614D+00  0.942737D+00 -0.118837D+01
               141           142           143           144           145 
      1   0.942737D+00 -0.757502D+00  0.852235D+00  0.316968D+00  0.134518D+02
      2  -0.118837D+01  0.852235D+00 -0.145412D+01 -0.468840D+00  0.121813D+01
      3  -0.105696D+01  0.316968D+00 -0.468840D+00 -0.291905D+00  0.999182D+00
               146           147           148           149           150 
      1   0.121813D+01  0.999182D+00  0.107278D+01  0.165939D+01  0.455866D+00
      2   0.906231D+00  0.362628D-01  0.165939D+01  0.457414D+00  0.152929D+00
      3   0.362628D-01  0.108310D+01  0.455866D+00  0.152929D+00  0.158990D+00
               151           152           153           154           155 
      1   0.101315D+01  0.441498D+00  0.255521D+00  0.235168D+01  0.264018D+01
      2   0.441498D+00  0.117005D+00  0.421428D-01  0.264018D+01  0.276496D+01
      3   0.255521D+00  0.421428D-01  0.154099D+00  0.756652D+00  0.715200D+00
               156           157           158           159           160 
      1   0.756652D+00  0.230441D+01  0.370485D+01  0.953021D+00  0.760549D+00
      2   0.715200D+00  0.370485D+01  0.912251D+01  0.213415D+01  0.110492D+01
      3   0.575023D+00  0.953021D+00  0.213415D+01  0.146604D+01  0.371979D+00
               161           162           163           164           165 
      1   0.110492D+01  0.371979D+00 -0.357362D+01  0.217465D+01  0.195190D+00
      2   0.239045D+01  0.776819D+00  0.217465D+01 -0.244351D+01 -0.250209D+00
      3   0.776819D+00  0.524337D+00  0.195190D+00 -0.250209D+00 -0.513080D+00
               166           167           168           169           170 
      1   0.238190D+01 -0.268122D+01 -0.482898D+00  0.283730D+00 -0.507676D+00
      2  -0.268122D+01  0.561224D+01  0.865724D+00 -0.507676D+00  0.119932D+01
      3  -0.482898D+00  0.865724D+00  0.930175D+00 -0.118184D+00  0.331956D+00
               171           172           173           174           175 
      1  -0.118184D+00  0.525107D+00  0.630633D-01 -0.788983D+00 -0.828944D-01
      2   0.331956D+00  0.630633D-01  0.551931D+00 -0.613223D+00 -0.172609D+00
      3   0.274915D+00 -0.788983D+00 -0.613223D+00  0.208500D+01 -0.712100D-01
               176           177           178           179           180 
      1  -0.172609D+00 -0.712100D-01 -0.126614D+01  0.785051D-01 -0.739563D-01
      2   0.121102D+01 -0.813179D+00  0.785051D-01 -0.116292D+01  0.226772D+01
      3  -0.813179D+00  0.174588D+01 -0.739563D-01  0.226772D+01 -0.778504D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.496308D-01  0.104073D+01 -0.186315D+01  0.143570D+01  0.852477D-02
      2  -0.679000D+00  0.268101D+01  0.116706D+01  0.124176D+01 -0.308234D+01
      3   0.169411D+01 -0.121209D+02 -0.236519D+01  0.388321D+01 -0.103316D+01
                 6             7             8             9            10 
      1  -0.237905D+01 -0.451047D+01  0.925510D+00 -0.112617D+01 -0.270881D+00
      2   0.371845D+01 -0.769350D+01  0.741807D+01  0.504960D+01  0.151630D+01
      3   0.197622D+01 -0.271437D+00  0.382088D+01 -0.403872D+01  0.147497D+01
                11            12            13            14            15 
      1   0.321863D-01  0.238905D+01 -0.679435D+00 -0.137388D+00 -0.253692D+01
      2   0.628161D+00 -0.137697D+01  0.389491D+01  0.417579D+00  0.124406D+01
      3  -0.358171D+00  0.709807D+00  0.341740D+01 -0.588281D+01  0.119058D+01
                16            17            18            19            20 
      1   0.627412D+01  0.364858D+01  0.598168D+00 -0.948006D+00 -0.276276D+00
      2  -0.120257D+02  0.437742D+00 -0.188830D+00 -0.371377D+01 -0.121246D+01
      3  -0.106746D+01 -0.464507D+00 -0.563458D+01  0.351957D+00  0.709911D+01
                21            22            23            24            25 
      1   0.107074D+00 -0.127268D+01 -0.340536D+01  0.106262D+01 -0.353209D+00
      2  -0.186517D+01 -0.122210D+01  0.888224D+00  0.473966D-01 -0.138498D+02
      3   0.737011D+00  0.157070D+02  0.163892D+01 -0.197110D+01 -0.124803D+00
                26            27            28            29            30 
      1   0.863825D+01  0.222320D+01  0.141467D+00  0.129903D+01 -0.160467D+01
      2   0.151910D+00  0.405476D+00  0.380016D+01  0.202520D+01 -0.494721D+00
      3   0.768112D-01  0.455137D+00 -0.565692D+01 -0.422555D+01 -0.242247D+01
                31            32            33            34            35 
      1   0.104701D+01  0.729617D+00 -0.255581D+01 -0.467178D+01  0.170675D+01
      2   0.177725D+01 -0.431140D+00 -0.134688D+01 -0.132464D+02 -0.114982D+01
      3   0.389669D+01  0.570871D+01 -0.193651D+00 -0.286764D+01 -0.197487D+01
                36            37            38            39            40 
      1  -0.577112D+00 -0.498903D+00 -0.767700D+00  0.238065D+01 -0.153571D+01
      2  -0.348727D+01 -0.116054D+01  0.170350D+01  0.283242D+01 -0.128727D+01
      3   0.464361D+01  0.366550D+01 -0.958908D+01 -0.182732D+01  0.733231D+01
                41            42            43            44            45 
      1  -0.301784D+00 -0.169115D+01  0.616205D+01  0.336397D+01  0.131457D+01
      2   0.322204D+01 -0.452535D+01 -0.368324D+01 -0.888722D+01 -0.353942D+01
      3   0.179443D+01 -0.202001D+01  0.392157D+00 -0.284902D+01  0.379903D+01
                46            47            48            49            50 
      1   0.299981D+00 -0.561435D+00 -0.807097D+00 -0.702219D+00 -0.278006D+01
      2   0.244660D+00 -0.314001D+00  0.669913D+01 -0.473251D+01  0.101733D+00
      3  -0.199719D+01 -0.647649D+01  0.114674D+00  0.103669D+02 -0.181008D+01
                51            52            53            54            55 
      1   0.109308D+01 -0.202746D+01  0.105276D+02  0.285428D+01 -0.734259D+00
      2   0.900596D+00  0.641600D+01  0.224279D+01  0.153490D+01  0.318475D+01
      3   0.918861D+00  0.399599D+01  0.836734D-01 -0.483506D+00 -0.632065D+00
                56            57            58            59            60 
      1  -0.905491D+00 -0.819120D+00  0.236345D+01  0.304625D+01  0.305641D+00
      2   0.129105D+01 -0.216014D+01  0.234912D+01 -0.761670D+01 -0.236919D+01
      3  -0.539943D+00  0.429084D+00  0.956943D+01  0.659027D+01  0.821189D+01
                61            62            63            64            65 
      1   0.280601D+01  0.411163D+01 -0.191526D+01 -0.221564D+01  0.226623D+01
      2  -0.157532D+02 -0.631174D+01  0.336960D+01  0.241675D+01 -0.117336D+01
      3   0.176632D+00  0.115660D+02  0.348002D+01  0.155171D+02 -0.740476D+01
                66            67            68            69            70 
      1   0.259080D+01  0.465265D-01 -0.238983D+01 -0.238816D+01 -0.648319D+00
      2   0.944160D+01  0.191338D+00  0.249832D+01  0.123560D+01  0.787404D+00
      3   0.427338D+01  0.203459D+01  0.424170D+01 -0.398290D+01  0.228134D+01
                71            72            73            74            75 
      1   0.653732D+01 -0.697013D+01  0.344072D+01 -0.322127D+01 -0.442968D+00
      2   0.438450D+01 -0.132916D+02 -0.132241D+02 -0.565569D+01  0.106888D+02
      3  -0.156811D+01 -0.468892D+01  0.286994D+00 -0.999446D+01  0.206932D+01
                76            77            78            79            80 
      1  -0.289430D+00 -0.127076D+01 -0.113093D+02 -0.123239D+01 -0.560599D+01
      2  -0.541161D+01  0.136332D+02  0.162710D+01  0.713372D+01  0.307162D+01
      3  -0.282637D+01  0.261734D+01 -0.141845D+02  0.901832D+00 -0.125583D+02
                81            82            83            84            85 
      1  -0.681519D+00  0.175878D+01  0.821739D+00  0.997199D+00 -0.734775D-01
      2   0.736080D+00 -0.466106D+01 -0.333361D+00  0.435583D+01 -0.777637D+00
      3  -0.154592D+01 -0.105342D+02 -0.418850D+01 -0.123526D+01 -0.142164D+01
                86            87            88            89            90 
      1  -0.292609D+00 -0.631002D+00  0.112309D+00  0.952166D-01  0.167198D+00
      2  -0.722293D+00  0.758891D+00  0.895918D+00 -0.126744D-01  0.914185D+00
      3   0.729275D+00  0.857432D+00 -0.355450D+00  0.714172D+00 -0.274353D+00
                91            92            93            94            95 
      1  -0.514516D+00 -0.655960D-01 -0.676589D+00 -0.844270D+00  0.386850D+00
      2   0.127490D+01  0.113759D+00  0.228497D+01 -0.638204D+00  0.420778D+01
      3  -0.377290D+01 -0.212697D+01 -0.192275D+00  0.289759D+01 -0.126581D+02
                96            97            98            99           100 
      1  -0.405670D+01 -0.875319D+00  0.258135D+00 -0.196979D+01  0.160046D+01
      2   0.403321D+01  0.293297D+00  0.339778D+01  0.356353D+01 -0.165609D+01
      3  -0.431742D+01  0.979718D+00 -0.566303D+01 -0.344780D+01  0.237239D+01
               101           102           103           104           105 
      1   0.141748D+01  0.275286D+00  0.518182D+00  0.781791D+01  0.364342D+01
      2  -0.975936D+00 -0.191603D+01 -0.169442D+01 -0.666773D+01 -0.741340D+01
      3   0.109401D+01 -0.637127D-01  0.202336D+01  0.915263D+01  0.653687D+01
               106           107           108           109           110 
      1  -0.249289D+00  0.588816D+01  0.452532D+01 -0.169142D+01  0.228668D+01
      2  -0.251338D+01 -0.436969D+01 -0.853314D+01 -0.339015D+01  0.340420D+01
      3  -0.392454D+00  0.536466D+01  0.481213D+01 -0.462220D+01  0.422017D+01
               111           112           113           114           115 
      1   0.549529D+00  0.134398D+01 -0.524002D+01  0.426855D+00  0.299944D+00
      2  -0.337064D+01  0.368484D+01 -0.824574D+01  0.618440D+01 -0.351565D+01
      3  -0.227978D+01  0.546115D+01 -0.118364D+02  0.726954D+01 -0.128029D+01
               116           117           118           119           120 
      1   0.332085D+01 -0.157641D+00 -0.126044D+01 -0.185950D+01 -0.130025D+01
      2   0.497837D+01 -0.672722D+01  0.109216D+02  0.135660D+01  0.597776D+01
      3   0.527272D+01 -0.519541D+01  0.353070D+01 -0.530523D+01  0.459123D-01
               121           122           123           124           125 
      1  -0.179543D+01 -0.490689D+00 -0.114384D+00 -0.905291D+00  0.107560D+01
      2   0.185680D+01 -0.272427D+00  0.834123D+00  0.152140D+01  0.269497D-01
      3  -0.194130D+01 -0.159927D+01  0.176638D+01 -0.119765D+00  0.131070D+01
               126           127           128           129           130 
      1  -0.291534D+00  0.109326D+00  0.303563D+00 -0.154961D+01  0.134063D+00
      2   0.116600D+01 -0.184451D+01 -0.123758D+01 -0.119133D+00 -0.164547D+01
      3   0.731801D+00  0.657086D+01  0.371827D+01  0.133792D+01  0.661478D+01
               131           132           133           134           135 
      1   0.814285D+00 -0.392392D+01  0.564222D+00  0.226298D+01 -0.665580D+00
      2  -0.235441D+01 -0.170592D+00 -0.206480D+01 -0.878099D+00 -0.114572D+00
      3   0.850655D+01  0.255067D+01  0.234537D+01  0.255451D+01  0.608155D+00
               136           137           138           139           140 
      1   0.192880D+00 -0.696237D+00  0.218555D+01  0.264249D+00  0.310690D+00
      2  -0.134630D-01 -0.275771D-01  0.282540D+01  0.966583D+00 -0.167446D+01
      3   0.157981D+01 -0.461443D+01 -0.236456D+00 -0.349448D+01  0.108520D+02
               141           142           143           144           145 
      1  -0.327783D+01 -0.832587D+00  0.140556D+01 -0.333833D+00 -0.124876D+00
      2  -0.365070D+01 -0.608828D+00  0.113419D+00 -0.510423D+00  0.131966D+01
      3   0.157836D+01 -0.109204D+01  0.267668D+01  0.567008D+00 -0.553362D+00
               146           147           148           149           150 
      1   0.371278D+00 -0.590214D+00 -0.110147D-01 -0.282884D-01 -0.387296D+00
      2  -0.111103D+00  0.634097D+01  0.177533D+01  0.396075D+00  0.905557D+00
      3  -0.530905D+01  0.184978D+00 -0.381419D+01 -0.122667D+01 -0.385623D+00
               151           152           153           154           155 
      1   0.395647D+00  0.635488D+00  0.275564D-01 -0.221454D+00  0.100062D+00
      2  -0.227236D+01 -0.873769D-01  0.399038D+00  0.319539D+00  0.526131D+00
      3  -0.152125D+01 -0.805225D+00 -0.128947D+00 -0.750626D+00 -0.226861D+01
               156           157           158           159           160 
      1  -0.167351D+01 -0.238449D+00  0.515215D+00 -0.429946D+01  0.570951D+00
      2   0.163881D+01  0.579379D+00  0.303596D+01  0.357001D+01 -0.425671D+00
      3  -0.370947D+00 -0.137063D+01 -0.132183D+02 -0.277954D+01 -0.537806D+00
               161           162           163           164           165 
      1   0.187145D+01 -0.748725D+00  0.499455D+00 -0.103921D+01  0.223238D+01
      2   0.383185D+00  0.102047D+01  0.221730D+01 -0.918093D+00  0.471104D+00
      3  -0.352847D+01 -0.908074D+00 -0.970820D+01  0.382847D+01  0.201911D+00
               166           167           168           169           170 
      1  -0.942936D-01  0.101493D+00 -0.300734D+01 -0.123433D+00  0.174319D+01
      2  -0.891244D+00  0.128408D+01 -0.909199D+00 -0.180022D+01  0.522778D+00
      3   0.670895D+01 -0.504861D+01 -0.119640D+01  0.514868D-01 -0.128591D+01
               171           172           173           174           175 
      1  -0.212874D+00  0.387696D+00 -0.546261D+00 -0.238034D+01 -0.208272D+00
      2  -0.364522D+00  0.371860D+01  0.114369D+01 -0.511688D+01 -0.168471D-01
      3  -0.130234D+00  0.104728D+01  0.145157D+01 -0.202129D+01  0.996475D+00
               176           177           178           179           180 
      1  -0.308199D+00 -0.227746D+01 -0.619691D+00  0.700310D+00  0.685058D+01
      2   0.138230D+01 -0.467407D+01 -0.363631D+01 -0.556197D+01  0.180047D+02
      3   0.261104D+01 -0.123232D+01 -0.149412D+01 -0.274339D+01  0.737957D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.963240D+01 -0.211226D+02 -0.337858D+01  0.196820D+02  0.125502D+02
      2  -0.937625D+01  0.142312D+02  0.950497D+00 -0.167985D+02 -0.155572D+02
      3  -0.256150D+00  0.689139D+01  0.242809D+01 -0.288354D+01  0.300708D+01
      4  -0.159526D+02 -0.696680D+01 -0.412966D+01  0.951181D+01 -0.391937D+01
      5  -0.621486D+01 -0.238432D+01 -0.888238D+00 -0.980296D-01 -0.709921D+01
      6  -0.530278D+01 -0.749084D+00  0.336635D+01 -0.514356D+01 -0.115136D+02
                 6             7             8             9            10 
      1   0.440074D+01  0.457752D+01  0.138480D+01 -0.494360D+01 -0.992720D+00
      2  -0.660444D+01 -0.786265D+01 -0.951028D+01 -0.572227D+01  0.312118D-01
      3   0.220370D+01  0.328513D+01  0.812548D+01  0.106659D+02  0.961509D+00
      4  -0.646472D+01 -0.339562D+01 -0.108266D+02  0.113744D+02  0.119584D+02
      5   0.757921D+01  0.115044D+02  0.120425D+02  0.977254D+01  0.382414D+01
      6   0.278295D+01  0.525574D+01  0.117708D+02  0.317827D+01  0.246995D+01
                11            12            13            14            15 
      1   0.165215D+02  0.453499D+01 -0.530853D+01  0.279123D+01  0.458273D+01
      2  -0.126675D+02 -0.431401D+00  0.130106D+02 -0.448649D+01 -0.346153D+01
      3  -0.385397D+01 -0.410359D+01 -0.770210D+01  0.169526D+01 -0.112121D+01
      4  -0.907753D+01 -0.353174D+00  0.458197D+01  0.137679D+02  0.242379D+01
      5  -0.114029D+01 -0.232793D+01  0.353875D+01  0.243392D+01  0.557897D+00
      6  -0.181307D+01 -0.452221D+01  0.853379D+01 -0.580593D+01  0.461681D+01
                16            17            18            19            20 
      1  -0.176716D+01  0.614303D+01 -0.131075D+02 -0.207578D+02 -0.224595D+01
      2   0.710683D+01 -0.830004D+01  0.121755D+01  0.625080D+01  0.168155D+01
      3  -0.533967D+01  0.215701D+01  0.118900D+02  0.145070D+02  0.564401D+00
      4   0.282385D+01  0.189979D+01  0.386925D+01  0.454069D+01  0.158186D+01
      5   0.323348D+01  0.231194D+01 -0.602263D+00 -0.790198D+01 -0.113964D+01
      6  -0.305344D+01  0.107003D+02 -0.739173D+00 -0.354279D+01  0.455968D+00
                21            22            23            24            25 
      1  -0.260172D+01  0.368031D+01 -0.115229D+02 -0.196845D+01 -0.501444D+01
      2  -0.975056D-01 -0.531083D+01  0.151250D+02  0.751870D+01 -0.107954D+01
      3   0.269922D+01  0.163051D+01 -0.360212D+01 -0.555026D+01  0.609399D+01
      4  -0.506229D+00 -0.116716D+02 -0.271013D+01  0.837343D+00 -0.604801D+01
      5   0.272653D+00 -0.582966D+01  0.944804D+00 -0.426548D-01  0.477218D+01
      6   0.131969D+01 -0.370941D+01  0.629391D+01 -0.842148D+00  0.139777D+00
                26            27            28            29            30 
      1  -0.257453D+01 -0.900664D+01  0.121952D+02 -0.114364D+02 -0.110947D+01
      2   0.469107D+01 -0.270613D+01 -0.860437D+01  0.919056D+01  0.199729D-02
      3  -0.211654D+01  0.117128D+02 -0.359080D+01  0.224583D+01  0.110747D+01
      4   0.129195D+01  0.919229D+00 -0.948120D+01 -0.168051D+02 -0.367919D+01
      5   0.789363D+00 -0.715448D+00  0.746559D+00 -0.241825D+01 -0.408004D+01
      6   0.594814D+01 -0.315368D+01 -0.216552D+01 -0.673362D+00  0.318781D+01
                31            32            33            34            35 
      1  -0.186898D+00  0.990318D+01  0.618291D+01  0.289949D+01  0.461612D+01
      2  -0.793329D+01 -0.122598D+02 -0.785089D+01 -0.522007D+01 -0.113697D+02
      3   0.812019D+01  0.235659D+01  0.166798D+01  0.232058D+01  0.675359D+01
      4   0.112259D+02 -0.121409D+02 -0.163013D+01 -0.396079D+00 -0.261106D+01
      5  -0.360832D+00 -0.218875D+01 -0.122277D+01  0.320594D+01 -0.497334D+01
      6  -0.570222D+01 -0.109746D+02  0.269549D+01  0.124492D+01  0.117022D+02
                36            37            38            39            40 
      1  -0.140837D+02 -0.169336D+01  0.230925D+02  0.627366D+01 -0.250483D+02
      2  -0.116341D+01 -0.201232D+01 -0.148620D+02 -0.978100D+00  0.230837D+02
      3   0.152471D+02  0.370568D+01 -0.823054D+01 -0.529556D+01  0.196462D+01
      4  -0.656898D+01  0.176591D+02  0.212733D+01  0.184457D+01  0.190129D+01
      5  -0.535563D+01  0.925307D+00  0.691588D-01  0.557554D+01 -0.560707D+01
      6   0.415000D+01  0.425673D+00 -0.214348D+01 -0.536432D+01  0.775245D+01
                41            42            43            44            45 
      1   0.515521D+01  0.990576D+00 -0.839844D+01  0.441293D+01  0.206951D+01
      2  -0.824623D+01 -0.140336D+01  0.109873D+02 -0.824808D+01 -0.833452D+01
      3   0.309102D+01  0.412787D+00 -0.258887D+01  0.383515D+01  0.626501D+01
      4   0.101975D+02  0.971948D+01 -0.213510D+01  0.100770D+02 -0.122404D+02
      5   0.823294D+01 -0.832255D+01  0.176840D+02 -0.130620D+02 -0.833877D+01
      6  -0.694527D+01  0.312657D+01 -0.567078D+01  0.102478D+02 -0.108609D+01
                46            47            48            49            50 
      1  -0.156758D+02 -0.337319D+01 -0.512106D+01  0.949406D+01 -0.212463D+02
      2   0.104828D+02  0.251887D+01  0.236374D+01 -0.785172D+01  0.180065D+02
      3   0.519298D+01  0.854322D+00  0.275732D+01 -0.164234D+01  0.323985D+01
      4  -0.251588D+01  0.210301D+02  0.959272D+00 -0.179846D+02 -0.390125D+01
      5  -0.421654D+01  0.666756D+00  0.150177D+02 -0.132957D+02 -0.140075D+01
      6   0.152899D+01  0.437903D+00  0.182503D+01 -0.356034D+01  0.430141D+01
                51            52            53            54            55 
      1  -0.878157D+01 -0.301838D+01 -0.955441D+01  0.119932D+02  0.123448D+02
      2   0.101154D+02 -0.103949D+01  0.719238D+01 -0.149154D+02 -0.426820D+01
      3  -0.133384D+01  0.405787D+01  0.236203D+01  0.292221D+01 -0.807655D+01
      4  -0.411642D+01 -0.139542D+02 -0.157441D+01  0.194437D+01  0.164226D+01
      5   0.105199D+01  0.326281D+02  0.311777D+01  0.420827D+01  0.649836D+01
      6  -0.135531D+01  0.121063D+01  0.552034D+01 -0.418912D+01  0.186726D+01
                56            57            58            59            60 
      1   0.968211D+00 -0.104324D+01  0.942620D+01  0.472010D+01  0.752475D+01
      2   0.238190D+01 -0.158714D+01 -0.617910D+01 -0.101691D+02 -0.133046D+02
      3  -0.335011D+01  0.263038D+01 -0.324710D+01  0.544905D+01  0.577989D+01
      4  -0.938452D+01  0.355314D+01 -0.136298D+02 -0.201848D+02 -0.170078D+02
      5   0.361565D+01 -0.142259D+02  0.132665D+02 -0.150643D+02 -0.316791D+01
      6  -0.762861D+00 -0.910607D+00 -0.448993D+01 -0.119529D+02 -0.753719D+01
                61            62            63            64            65 
      1   0.452597D+01  0.608897D+01 -0.509108D+01 -0.347645D+02  0.288995D+00
      2  -0.960199D+01 -0.399664D+01  0.651381D+01  0.232364D+02 -0.429431D+01
      3   0.507602D+01 -0.209232D+01 -0.142273D+01  0.115281D+02  0.400531D+01
      4   0.121672D+02 -0.171179D+02 -0.124026D+02 -0.127674D+01  0.125064D+02
      5  -0.272065D+02 -0.119485D+02  0.855445D+01 -0.154572D+02 -0.127190D+01
      6  -0.712270D+01 -0.907448D+01  0.178705D+01 -0.124465D+01  0.137746D+01
                66            67            68            69            70 
      1  -0.971309D+01 -0.108778D+02 -0.249483D+01 -0.380851D+01 -0.882570D+01
      2   0.615254D+00  0.335861D+01  0.121617D+02 -0.603712D+00  0.228749D+01
      3   0.909784D+01  0.751923D+01 -0.966687D+01  0.441222D+01  0.653821D+01
      4   0.731019D+00  0.181505D+02 -0.113367D+02  0.107057D+02 -0.617256D+00
      5   0.112139D+02 -0.105540D+02  0.987361D+01 -0.142057D+01  0.102089D+02
      6  -0.368407D+01  0.546275D+01 -0.391181D+01  0.692809D+01 -0.170936D+01
                71            72            73            74            75 
      1  -0.119778D+00  0.148946D+02 -0.561834D+02 -0.161251D+02  0.926049D+01
      2  -0.712811D+01  0.194980D+00  0.232115D+02  0.954791D+01 -0.109549D+01
      3   0.724789D+01 -0.150896D+02  0.329718D+02  0.657722D+01 -0.816499D+01
      4   0.297552D+01  0.152634D+01 -0.208131D+02  0.741579D+01 -0.325715D+01
      5   0.384596D+01 -0.159610D+02  0.134963D+02 -0.373626D+00  0.118435D+02
      6   0.383216D+01  0.846877D+01  0.398543D+01 -0.721625D+01  0.440789D+01
                76            77            78            79            80 
      1  -0.165495D+02  0.192559D+02 -0.475112D+01  0.188377D-01 -0.616426D+01
      2   0.889916D+01 -0.506965D+01  0.125035D+02  0.849873D+01  0.117753D+02
      3   0.765036D+01 -0.141862D+02 -0.775241D+01 -0.851756D+01 -0.561108D+01
      4   0.692167D+01  0.244536D+01  0.173407D+02 -0.861107D+01  0.134711D+02
      5  -0.271166D+01  0.126739D+02  0.793363D+01  0.234934D+02  0.108950D+02
      6  -0.434672D+01  0.422674D+01 -0.126858D+02  0.851629D+01 -0.863878D+01
                81            82            83            84            85 
      1   0.124274D+02  0.701848D+02 -0.343197D+01  0.937249D+01  0.468003D+01
      2  -0.117050D+02 -0.404676D+02  0.152555D+01 -0.790091D+01 -0.238877D+01
      3  -0.722400D+00 -0.297172D+02  0.190641D+01 -0.147158D+01 -0.229126D+01
      4   0.112585D+02 -0.142786D+02  0.705148D+01 -0.378812D+01  0.552439D+01
      5  -0.129442D+02  0.273406D+02 -0.313548D+01  0.126660D+02  0.450375D+00
      6  -0.531945D+01 -0.204591D+01  0.207197D+01 -0.224166D+01  0.167203D+01
                86            87            88            89            90 
      1   0.288987D+01 -0.849422D+00  0.404747D+01 -0.104348D+01  0.441745D+01
      2  -0.225370D+00  0.861312D+00 -0.341986D+01  0.112639D+01 -0.425543D+01
      3  -0.266450D+01 -0.118898D-01 -0.627615D+00 -0.829020D-01 -0.162016D+00
      4  -0.153372D+01  0.236082D-01 -0.228812D+01 -0.228309D-01 -0.145577D+01
      5   0.181278D+00  0.271242D+00  0.103904D+02 -0.154962D+01  0.548671D+01
      6  -0.820131D-01  0.107526D+01 -0.149866D+01  0.873674D+00 -0.104808D+01
                91            92            93            94            95 
      1   0.855083D+00  0.287224D+01  0.214019D+01  0.114877D+01 -0.124461D+02
      2   0.180022D+01 -0.495304D+00 -0.301296D+00  0.165595D+01  0.195855D+02
      3  -0.265530D+01 -0.237694D+01 -0.183890D+01 -0.280472D+01 -0.713938D+01
      4   0.809759D+01  0.107129D+02  0.307549D+01  0.107284D+02  0.292226D+02
      5   0.360547D+01  0.305221D+01  0.680860D+01  0.354762D+01  0.875604D+01
      6   0.445402D+01  0.202524D+01  0.128678D+01  0.299143D+01  0.160620D+02
                96            97            98            99           100 
      1  -0.507177D+01  0.698827D+00 -0.619612D+01 -0.521329D+01  0.379124D+01
      2   0.636799D+01  0.491402D+00  0.459510D+01  0.117773D+01 -0.297000D+01
      3  -0.129622D+01 -0.119023D+01  0.160102D+01  0.403556D+01 -0.821239D+00
      4   0.963745D+01  0.298242D+01  0.121952D+02  0.957545D+01 -0.121400D+01
      5   0.922853D+01  0.816827D+01  0.875841D+01  0.849470D+01 -0.294176D+01
      6   0.103381D+02  0.325108D+01  0.121989D+02  0.956354D+01  0.223320D+01
               101           102           103           104           105 
      1  -0.196546D+01 -0.538612D+01 -0.518526D+01 -0.800108D+01 -0.567783D+01
      2   0.853227D+00  0.701228D+00  0.376224D+01  0.623415D-01 -0.646012D+01
      3   0.111223D+01  0.468490D+01  0.142302D+01  0.793874D+01  0.121380D+02
      4  -0.347868D+00  0.584656D+00  0.187398D+01 -0.160044D+02 -0.108804D+02
      5   0.207256D+01  0.373454D+00  0.730331D+01 -0.894879D+01 -0.141749D+02
      6   0.169250D+01 -0.206626D+00 -0.357473D-01  0.120458D+02  0.986595D+01
               106           107           108           109           110 
      1  -0.344437D+01 -0.414863D+01 -0.112020D+02 -0.195252D+01  0.982736D+01
      2   0.250916D+01 -0.519888D+01 -0.735215D+01  0.220226D+01 -0.668452D+01
      3   0.935205D+00  0.934750D+01  0.185541D+02 -0.249740D+00 -0.314283D+01
      4   0.146596D+01 -0.913586D+01 -0.872856D+01  0.219353D+01 -0.197503D+01
      5   0.413961D+01 -0.738049D+01 -0.140515D+02  0.437021D+00 -0.752784D+00
      6  -0.906845D+00  0.904851D+01  0.794622D+01 -0.412832D+01  0.609332D+01
               111           112           113           114           115 
      1  -0.792712D+01  0.942931D+01 -0.203938D+02  0.124981D+02 -0.357629D+01
      2   0.185564D+01 -0.574773D+01  0.175166D+02 -0.578160D+01  0.457378D+00
      3   0.607148D+01 -0.368158D+01  0.287723D+01 -0.671645D+01  0.311891D+01
      4   0.114923D+01  0.250486D+01  0.162655D+02 -0.104322D+02 -0.137606D+00
      5  -0.210910D+01 -0.429028D+01 -0.749382D+01  0.758684D+01  0.125265D+01
      6  -0.519660D+01  0.209859D+01 -0.188235D+02  0.148680D+02 -0.218567D+01
               116           117           118           119           120 
      1   0.101637D+02 -0.144239D+02  0.842323D+02  0.107205D+02 -0.582086D+01
      2  -0.374782D+01  0.203027D+01 -0.419089D+02 -0.355454D+01  0.657810D+01
      3  -0.641584D+01  0.123936D+02 -0.423234D+02 -0.716596D+01 -0.757242D+00
      4  -0.737875D+01  0.550727D+01  0.251887D+02  0.137083D+02 -0.306390D+01
      5   0.484930D+01 -0.696965D+01 -0.291815D+02 -0.469880D+01  0.146057D+02
      6   0.128616D+02 -0.116655D+02 -0.480179D+01 -0.318031D+01  0.272612D+01
               121           122           123           124           125 
      1   0.917750D+01  0.642857D+01  0.322461D+00  0.374034D+01  0.816180D+00
      2  -0.216713D+01 -0.203786D+01 -0.582673D+00  0.103876D+01 -0.321655D+00
      3  -0.701037D+01 -0.439071D+01  0.260212D+00 -0.477910D+01 -0.494525D+00
      4   0.153975D+02  0.720519D+01 -0.336087D+01  0.131245D+01 -0.605323D+00
      5  -0.345313D+01 -0.461591D+01  0.166495D+01  0.974416D+01  0.822578D+00
      6  -0.305161D+01 -0.212781D+01  0.333183D+01  0.182901D+01  0.225385D+01
               126           127           128           129           130 
      1   0.604385D+01 -0.552005D+01 -0.846856D+01 -0.284700D+01 -0.762276D+01
      2  -0.393303D+01  0.654814D+01  0.976686D+01  0.189850D+01  0.915576D+01
      3  -0.211082D+01 -0.102808D+01 -0.129831D+01  0.948499D+00 -0.153299D+01
      4   0.174302D+01  0.342781D+01  0.686786D+01  0.150005D+01  0.508522D+01
      5  -0.167200D+01  0.111713D+01  0.137226D+01  0.144959D+01  0.110216D+01
      6  -0.996320D-01  0.263762D+01  0.362857D+01  0.273030D+01  0.318723D+01
               131           132           133           134           135 
      1  -0.317087D+02 -0.888844D+01 -0.238570D+01 -0.883374D+01 -0.407678D+01
      2   0.406847D+02  0.780112D+01  0.256338D+01  0.978581D+01  0.412725D+01
      3  -0.897598D+01  0.108733D+01 -0.177681D+00 -0.952076D+00 -0.504746D-01
      4  -0.101110D+01 -0.773729D+00  0.136609D+01 -0.328710D+00  0.142148D+01
      5  -0.752448D+00 -0.345690D+00  0.982926D+00  0.515703D+00  0.660985D+00
      6   0.134671D+02  0.925796D+01  0.137440D+01  0.579552D+01  0.427688D+01
               136           137           138           139           140 
      1   0.215828D+02 -0.133993D+02 -0.284484D+01 -0.857023D+01  0.278974D+01
      2  -0.400505D+01 -0.993681D+00  0.115732D+01 -0.623879D+01  0.167382D+02
      3  -0.175778D+02  0.143930D+02  0.168752D+01  0.148090D+02 -0.195279D+02
      4  -0.326677D+02  0.297163D+02  0.469474D+01  0.328861D+02 -0.432558D+02
      5  -0.690122D+01  0.481645D+01  0.647724D+01  0.707147D+01 -0.810778D+01
      6   0.265619D+01 -0.220588D+01 -0.342614D+01 -0.439669D+01  0.616138D+01
               141           142           143           144           145 
      1   0.782934D+00 -0.126214D+01  0.121210D+00 -0.340313D-01  0.100700D+03
      2   0.854715D+00 -0.101799D+01  0.266743D+01  0.126844D+01 -0.565993D+02
      3  -0.163765D+01  0.228014D+01 -0.278864D+01 -0.123441D+01 -0.441011D+02
      4  -0.763279D+01  0.652329D+01 -0.830959D+01 -0.440587D+01  0.130797D+02
      5  -0.687328D+01  0.330466D+01 -0.371184D+01 -0.221023D+01  0.966051D+01
      6   0.628829D+01 -0.251143D+01  0.370693D+01  0.243671D+01 -0.234543D+01
               146           147           148           149           150 
      1   0.851707D+01  0.633064D+01  0.659380D+01  0.965266D+01  0.177693D+01
      2  -0.416691D+01 -0.434264D+01 -0.280283D+01 -0.438250D+01 -0.143401D+01
      3  -0.435017D+01 -0.198800D+01 -0.379096D+01 -0.527015D+01 -0.342925D+00
      4   0.965693D+01  0.392684D+00  0.155251D+02  0.409992D+01  0.137360D+01
      5   0.359130D+00  0.111969D+02  0.359250D+01  0.151051D+01  0.147382D+01
      6   0.206485D+00  0.551067D+00  0.807915D+00 -0.959203D-01  0.140643D+01
               151           152           153           154           155 
      1   0.732257D+01  0.201162D+01  0.464374D+01  0.555179D+01  0.479426D+01
      2  -0.421564D+01 -0.111703D+01 -0.287920D+01  0.304714D+01  0.466897D+01
      3  -0.310693D+01 -0.894593D+00 -0.176454D+01 -0.859892D+01 -0.946323D+01
      4   0.386851D+01  0.147476D+01  0.961027D+00  0.188319D+02  0.228181D+02
      5   0.475518D+01  0.648422D+00  0.171208D+01  0.489212D+01  0.541462D+01
      6   0.228201D+00  0.679057D+00  0.340933D+00  0.362694D+01  0.404879D+01
               156           157           158           159           160 
      1   0.115171D+01 -0.103810D+01 -0.156460D+02 -0.388826D+01  0.131530D-01
      2   0.199177D+00  0.109376D+02  0.361190D+02  0.556714D+01  0.216876D+01
      3  -0.135088D+01 -0.989947D+01 -0.204729D+02 -0.167888D+01 -0.218192D+01
      4   0.551787D+01  0.238677D+02  0.457304D+02  0.103167D+02  0.664558D+01
      5   0.495187D+01  0.574591D+01  0.100238D+02  0.708248D+01  0.272165D+01
      6   0.319953D+01  0.567376D+01  0.135685D+02  0.963015D+01  0.281217D+01
               161           162           163           164           165 
      1  -0.346273D+01 -0.251610D+01 -0.463765D+01  0.664334D+01  0.103325D+01
      2   0.740502D+01  0.342430D+01  0.610384D+01 -0.920734D+01 -0.715892D+00
      3  -0.394229D+01 -0.908203D+00 -0.146619D+01  0.256400D+01 -0.317361D+00
      4   0.121279D+02  0.502835D+01 -0.843717D+01  0.734853D+01  0.906909D+00
      5   0.423794D+01  0.317465D+01 -0.572790D+00  0.778821D+00  0.150303D+01
      6   0.638759D+01  0.437132D+01  0.898670D+00 -0.161741D+01 -0.264479D+01
               166           167           168           169           170 
      1   0.788297D+01 -0.197935D+02 -0.370709D+01  0.163929D+01 -0.397682D+01
      2  -0.104434D+02  0.263079D+02  0.289948D+01 -0.204697D+01  0.446354D+01
      3   0.256043D+01 -0.651440D+01  0.807608D+00  0.407687D+00 -0.486712D+00
      4   0.764563D+01 -0.782324D+01 -0.819700D+00  0.130043D+01 -0.128002D+01
      5   0.983536D+00 -0.106240D+01 -0.117134D+01  0.121153D+01 -0.873627D+00
      6  -0.246381D+01  0.497136D+01  0.532196D+01 -0.123785D+01  0.290939D+01
               171           172           173           174           175 
      1  -0.128464D+01 -0.283711D+01 -0.233994D+01  0.927385D+01 -0.976320D+00
      2   0.199463D+01 -0.730305D+00  0.390751D+00  0.339840D+00  0.336019D+00
      3  -0.709991D+00  0.356742D+01  0.194919D+01 -0.961369D+01  0.640301D+00
      4  -0.214526D+01  0.270483D+00 -0.175505D+01 -0.303997D+00  0.199586D+01
      5  -0.119891D+01  0.202799D+01  0.925685D+00 -0.371373D+01 -0.401778D+00
      6   0.180371D+01 -0.120676D+01 -0.167650D+01  0.359646D+01 -0.963067D-01
               176           177           178           179           180 
      1  -0.370324D+01  0.444490D+01  0.742006D+01  0.643051D+01 -0.225803D+02
      2   0.176679D+01  0.768534D+00 -0.339407D+01  0.135070D+01 -0.100561D+02
      3   0.193645D+01 -0.521343D+01 -0.402599D+01 -0.778121D+01  0.326364D+02
      4  -0.485961D+01  0.192395D+01 -0.287267D+01  0.367778D+01 -0.718114D+01
      5   0.210328D+01 -0.768895D+01  0.584700D+01 -0.908239D+01  0.291389D+02
      6  -0.303657D+01  0.749715D+01  0.287688D+00  0.750634D+01 -0.151945D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 22:04:53 2021, MaxMem=  5368709120 cpu:            8189.2 elap:            1026.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -14.59814 -10.47221 -10.44497 -10.44092 -10.43966
 Alpha  occ. eigenvalues --  -10.43952 -10.43888 -10.43488 -10.42803  -1.02874
 Alpha  occ. eigenvalues --   -0.98619  -0.89364  -0.87303  -0.84776  -0.75227
 Alpha  occ. eigenvalues --   -0.72681  -0.68968  -0.63619  -0.60402  -0.60042
 Alpha  occ. eigenvalues --   -0.56481  -0.54336  -0.54311  -0.52751  -0.49758
 Alpha  occ. eigenvalues --   -0.48419  -0.47714  -0.46884  -0.44127  -0.43197
 Alpha  occ. eigenvalues --   -0.35939  -0.34824  -0.33657
 Alpha virt. eigenvalues --    0.05158   0.06569   0.06624   0.06824   0.07338
 Alpha virt. eigenvalues --    0.08384   0.09173   0.09991   0.11538   0.13194
 Alpha virt. eigenvalues --    0.14203   0.16019   0.17118   0.17787   0.19473
 Alpha virt. eigenvalues --    0.20051   0.20379   0.20789   0.21552   0.22902
 Alpha virt. eigenvalues --    0.23318   0.23621   0.25218   0.25476   0.25706
 Alpha virt. eigenvalues --    0.26219   0.27403   0.28706   0.29969   0.30083
 Alpha virt. eigenvalues --    0.30520   0.31133   0.31991   0.32595   0.33389
 Alpha virt. eigenvalues --    0.33829   0.34378   0.34726   0.35775   0.36522
 Alpha virt. eigenvalues --    0.36771   0.37633   0.38326   0.38937   0.39265
 Alpha virt. eigenvalues --    0.39493   0.39808   0.40608   0.40796   0.41508
 Alpha virt. eigenvalues --    0.42437   0.42939   0.43498   0.44054   0.44538
 Alpha virt. eigenvalues --    0.44628   0.44989   0.45447   0.46113   0.46409
 Alpha virt. eigenvalues --    0.47089   0.47239   0.47715   0.47958   0.48791
 Alpha virt. eigenvalues --    0.49719   0.50174   0.50846   0.51944   0.52762
 Alpha virt. eigenvalues --    0.52932   0.53172   0.53845   0.55602   0.56352
 Alpha virt. eigenvalues --    0.56683   0.56944   0.58255   0.58695   0.60025
 Alpha virt. eigenvalues --    0.60726   0.61230   0.62835   0.63441   0.64394
 Alpha virt. eigenvalues --    0.65093   0.66317   0.67671   0.68439   0.68605
 Alpha virt. eigenvalues --    0.69534   0.69998   0.70703   0.71563   0.72381
 Alpha virt. eigenvalues --    0.73746   0.74984   0.75789   0.76776   0.77434
 Alpha virt. eigenvalues --    0.79444   0.81329   0.81774   0.81970   0.82176
 Alpha virt. eigenvalues --    0.84557   0.86319   0.86880   0.88426   0.91181
 Alpha virt. eigenvalues --    0.94237   0.96976   1.00079   1.02309   1.03318
 Alpha virt. eigenvalues --    1.04540   1.05344   1.05668   1.06973   1.07278
 Alpha virt. eigenvalues --    1.07468   1.08644   1.10318   1.10687   1.11658
 Alpha virt. eigenvalues --    1.13577   1.15391   1.15870   1.18266   1.18452
 Alpha virt. eigenvalues --    1.19592   1.20690   1.22522   1.23400   1.25056
 Alpha virt. eigenvalues --    1.26625   1.27091   1.29389   1.29989   1.31571
 Alpha virt. eigenvalues --    1.33877   1.35013   1.36933   1.38280   1.41419
 Alpha virt. eigenvalues --    1.41885   1.44809   1.44890   1.49008   1.49376
 Alpha virt. eigenvalues --    1.53927   1.60636   1.62338   1.62625   1.66640
 Alpha virt. eigenvalues --    1.67483   1.69247   1.70173   1.73318   1.73601
 Alpha virt. eigenvalues --    1.75657   1.78194   1.79951   1.82624   1.84338
 Alpha virt. eigenvalues --    1.86192   1.89473   1.91693   1.92683   1.93285
 Alpha virt. eigenvalues --    1.95751   1.97350   1.98023   1.99725   2.02550
 Alpha virt. eigenvalues --    2.03996   2.04301   2.05852   2.08483   2.10701
 Alpha virt. eigenvalues --    2.11675   2.12839   2.14072   2.14731   2.16036
 Alpha virt. eigenvalues --    2.17506   2.19186   2.19772   2.21624   2.24233
 Alpha virt. eigenvalues --    2.26771   2.28744   2.29777   2.32160   2.33956
 Alpha virt. eigenvalues --    2.35548   2.36957   2.40996   2.44968   2.45982
 Alpha virt. eigenvalues --    2.47879   2.50350   2.50818   2.52670   2.54727
 Alpha virt. eigenvalues --    2.55697   2.57122   2.60043   2.64128   2.64807
 Alpha virt. eigenvalues --    2.66495   2.72540   2.76899   2.78918   2.82786
 Alpha virt. eigenvalues --    2.90878   2.92496   2.93007   2.93482   2.95513
 Alpha virt. eigenvalues --    2.98419   3.02939   3.08454   3.10354   3.11727
 Alpha virt. eigenvalues --    3.17564   3.19390   3.22443   3.28346   3.31478
 Alpha virt. eigenvalues --    3.31702   3.41256   3.46472   3.68137   3.79426
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    7.680890  -1.020864   0.525410  -0.316755   0.552826  -0.194317
     2  C   -1.020864   8.281871  -0.999604   0.108379  -0.166196   0.457176
     3  C    0.525410  -0.999604  10.003102  -0.867410   0.492403  -0.204591
     4  C   -0.316755   0.108379  -0.867410   8.598074  -0.847496   0.472646
     5  C    0.552826  -0.166196   0.492403  -0.847496   7.302945  -0.146824
     6  C   -0.194317   0.457176  -0.204591   0.472646  -0.146824   6.815895
     7  C    0.020990  -0.378826   0.301995  -0.538500   0.071254   0.050920
     8  N    0.014577  -0.085638  -0.198789   0.031098   0.001546   0.003478
     9  C   -0.001829  -0.023043   0.025905  -0.009008   0.003866   0.003142
    10  H   -0.002725   0.041215   0.023316   0.015077  -0.000076  -0.000530
    11  H    0.005455   0.084910  -0.203096  -0.168159   0.017661   0.000333
    12  H   -0.001381   0.029745  -0.118236   0.009024   0.000565  -0.000258
    13  H   -0.002549  -0.000502  -0.055143   0.027720  -0.002860  -0.000821
    14  H    0.000186  -0.012541   0.022976  -0.008533   0.000156  -0.000009
    15  H    0.212521   0.079588  -1.140252   0.338663  -0.546127  -0.063642
    16  H   -0.052964   0.149929   0.084628  -0.494334  -0.026435  -0.508496
    17  H   -0.378673  -0.012613   0.121524  -0.012007  -0.358992   0.133787
    18  H   -0.064598  -0.396868   0.086984   0.184499  -0.082552  -0.567427
    19  H   -0.488624   0.306470  -1.210586   0.055179   0.203286  -0.054708
    20  H    0.004739  -0.084448   0.084102  -0.033991  -0.001280   0.000598
               7          8          9         10         11         12
     1  C    0.020990   0.014577  -0.001829  -0.002725   0.005455  -0.001381
     2  C   -0.378826  -0.085638  -0.023043   0.041215   0.084910   0.029745
     3  C    0.301995  -0.198789   0.025905   0.023316  -0.203096  -0.118236
     4  C   -0.538500   0.031098  -0.009008   0.015077  -0.168159   0.009024
     5  C    0.071254   0.001546   0.003866  -0.000076   0.017661   0.000565
     6  C    0.050920   0.003478   0.003142  -0.000530   0.000333  -0.000258
     7  C    5.855113   0.176307   0.339717   0.058611   0.183855   0.115831
     8  N    0.176307   7.439839  -0.012349  -0.140813  -0.106045  -0.020683
     9  C    0.339717  -0.012349   4.307404  -0.051132  -0.034057   0.285957
    10  H    0.058611  -0.140813  -0.051132   0.974932   0.037587   0.004228
    11  H    0.183855  -0.106045  -0.034057   0.037587   1.258431  -0.004150
    12  H    0.115831  -0.020683   0.285957   0.004228  -0.004150   0.798175
    13  H    0.010891   0.032994   0.270055   0.003342  -0.027361  -0.039265
    14  H    0.069331  -0.035120   0.279345  -0.017259   0.005215  -0.073785
    15  H   -0.379068   0.002633  -0.013424   0.003620  -0.007979   0.005384
    16  H    0.020822  -0.000058   0.000114  -0.000051  -0.003049  -0.000018
    17  H   -0.004639  -0.000099  -0.000101   0.000017   0.000105   0.000051
    18  H   -0.003803   0.000646   0.000311  -0.000338  -0.000185  -0.001534
    19  H   -0.190667  -0.112256   0.000617   0.023939   0.013832   0.020817
    20  H    0.194269  -0.049474   0.011007  -0.059915  -0.012434  -0.005882
              13         14         15         16         17         18
     1  C   -0.002549   0.000186   0.212521  -0.052964  -0.378673  -0.064598
     2  C   -0.000502  -0.012541   0.079588   0.149929  -0.012613  -0.396868
     3  C   -0.055143   0.022976  -1.140252   0.084628   0.121524   0.086984
     4  C    0.027720  -0.008533   0.338663  -0.494334  -0.012007   0.184499
     5  C   -0.002860   0.000156  -0.546127  -0.026435  -0.358992  -0.082552
     6  C   -0.000821  -0.000009  -0.063642  -0.508496   0.133787  -0.567427
     7  C    0.010891   0.069331  -0.379068   0.020822  -0.004639  -0.003803
     8  N    0.032994  -0.035120   0.002633  -0.000058  -0.000099   0.000646
     9  C    0.270055   0.279345  -0.013424   0.000114  -0.000101   0.000311
    10  H    0.003342  -0.017259   0.003620  -0.000051   0.000017  -0.000338
    11  H   -0.027361   0.005215  -0.007979  -0.003049   0.000105  -0.000185
    12  H   -0.039265  -0.073785   0.005384  -0.000018   0.000051  -0.001534
    13  H    0.828210  -0.051401   0.021809  -0.001246   0.000058   0.000285
    14  H   -0.051401   0.738292  -0.003292   0.000054  -0.000004   0.000043
    15  H    0.021809  -0.003292   2.580390  -0.639197   0.066717  -0.023564
    16  H   -0.001246   0.000054  -0.639197   2.645538  -0.582798   0.069964
    17  H    0.000058  -0.000004   0.066717  -0.582798   2.160556  -0.584349
    18  H    0.000285   0.000043  -0.023564   0.069964  -0.584349   2.675872
    19  H   -0.000701  -0.002986   0.059617  -0.021388   0.060512  -0.563731
    20  H   -0.007274   0.012843  -0.010148   0.000312  -0.000105   0.001406
              19         20
     1  C   -0.488624   0.004739
     2  C    0.306470  -0.084448
     3  C   -1.210586   0.084102
     4  C    0.055179  -0.033991
     5  C    0.203286  -0.001280
     6  C   -0.054708   0.000598
     7  C   -0.190667   0.194269
     8  N   -0.112256  -0.049474
     9  C    0.000617   0.011007
    10  H    0.023939  -0.059915
    11  H    0.013832  -0.012434
    12  H    0.020817  -0.005882
    13  H   -0.000701  -0.007274
    14  H   -0.002986   0.012843
    15  H    0.059617  -0.010148
    16  H   -0.021388   0.000312
    17  H    0.060512  -0.000105
    18  H   -0.563731   0.001406
    19  H    2.459498  -0.046350
    20  H   -0.046350   0.944452
 Mulliken charges:
               1
     1  C   -0.492316
     2  C   -0.358139
     3  C   -0.774636
     4  C   -0.544164
     5  C   -0.467670
     6  C   -0.196349
     7  C    0.025600
     8  N    0.058205
     9  C    0.617503
    10  H    0.086956
    11  H   -0.040872
    12  H   -0.004585
    13  H   -0.006242
    14  H    0.076488
    15  H    0.455752
    16  H    0.358674
    17  H    0.391052
    18  H    0.268941
    19  H    0.488230
    20  H    0.057571
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.223375
     2  C    0.130091
     3  C   -0.774636
     4  C   -0.088412
     5  C   -0.108996
     6  C    0.194703
     7  C   -0.015271
     8  N    0.202732
     9  C    0.683164
 Electronic spatial extent (au):  <R**2>=           1285.7608
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.6669    Y=             -0.8926    Z=             -0.6667  Tot=              1.2984
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -48.3854   YY=            -53.6640   ZZ=            -55.9153
   XY=              1.8507   XZ=              2.3476   YZ=              1.0241
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              4.2695   YY=             -1.0091   ZZ=             -3.2604
   XY=              1.8507   XZ=              2.3476   YZ=              1.0241
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -9.6363  YYY=             -2.4349  ZZZ=             -6.9066  XYY=              6.8032
  XXY=             -2.5278  XXZ=             -5.5701  XZZ=            -11.9988  YZZ=              3.0797
  YYZ=             -0.4490  XYZ=              4.0755
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1075.3869 YYYY=           -350.9572 ZZZZ=           -190.7216 XXXY=             -3.2665
 XXXZ=             31.6146 YYYX=              6.1020 YYYZ=              9.7017 ZZZX=             15.1718
 ZZZY=             -8.8738 XXYY=           -260.8110 XXZZ=           -237.1924 YYZZ=            -92.3851
 XXYZ=              1.5726 YYXZ=              2.9682 ZZXY=             -6.4678
 N-N= 4.257450469049D+02 E-N=-1.697613110361D+03  KE= 3.612484014432D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 22:04:53 2021, MaxMem=  5368709120 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-2.81616381D-01-3.09909963D-01-2.76521489D-01
 Polarizability= 1.26371264D+02 4.02624642D-01 1.00539729D+02
                 1.05229610D+00 5.47513741D+00 7.12755021D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.5915   -0.5918        0.1360    0.1266
 2      0.5915    0.5918       -2.9141   -2.9141      -12.9307  -12.9060
 3     -0.1360   -0.1266       27.7371   27.7156        2.9107    2.9141
 4      2.9141    2.9141        0.0000    0.0000       -0.1295   -0.1266
 5    -14.8064  -14.8097        0.1295    0.1266       -0.5933   -0.5918
 6     -2.9107   -2.9141        0.5933    0.5918       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        1.7754    1.7754        0.3797    0.3797
 2      8.7423    8.7423       -0.0000    0.0000        0.3797    0.3797
 3      8.7423    8.7423        1.7754    1.7754        0.0000    0.0000
 4      1.7754    1.7754       -8.7423   -8.7423      -38.7179  -38.7179
 5     -0.3797   -0.3797       83.1469   83.1469        8.7423    8.7423
 6    -44.4290  -44.4290        0.3797    0.3797       -1.7754   -1.7754
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0133    0.0000        2.4953    2.3672       -0.8106   -0.5063
 2     -2.2459   -2.3672       11.3699   11.6564       51.6827   51.6239
 3      0.3997    0.5063     -110.6412 -110.8626      -11.6780  -11.6564
 4    -11.0036  -11.6564        0.0492    0.0000        0.4014    0.5063
 5     59.2311   59.2387       -0.2774   -0.5063        2.1033    2.3672
 6     11.8313   11.6564       -2.5752   -2.3672       -0.0220    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1017    0.0000       -2.8419   -2.6931       -5.7237   -5.8900
 2      2.3245    2.6931      -42.8140  -43.7415      -30.8559  -31.2487
 3      5.5513    5.8900      -23.3842  -23.2657       43.8308   43.7415
 4     43.5514   43.7415        0.1188    0.0000        5.9928    5.8900
 5     53.7426   54.5144       -6.1851   -5.8900       -2.9783   -2.6931
 6    -43.7772  -43.7415        2.6297    2.6931       -0.0146    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     30.1487   30.4118        2.2495    2.1414       14.4852   14.6363
 2     94.9931   95.2309       -3.0771   -3.2154       14.6567   14.6363
 3     94.8570   95.2309        2.2963    2.1414       11.1267   11.1258
 4      4.7070    5.3568      -64.8253  -64.8191      -36.9480  -37.5715
 5     -3.8006   -3.5106      -44.7921  -44.3562       64.9382   64.8191
 6     80.4526   81.9277        3.4161    3.5106       -5.9230   -5.3568
 Full mass-weighted force constant matrix:
 Low frequencies ---   -6.8196   -4.9323   -0.0007   -0.0005   -0.0004    1.7214
 Low frequencies ---   43.8680  127.6567  215.2272
 Diagonal vibrational polarizability:
       18.3534058       8.4396374      12.7888768
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     43.8646               127.6567               215.2272
 Red. masses --      3.2047                 3.1311                 1.9465
 Frc consts  --      0.0036                 0.0301                 0.0531
 IR Inten    --      0.4220                 2.1227                 0.8102
 RamAct Fr= 1--      3.7331                 4.0854                 0.2999
  Dep-P Fr= 1--      0.7496                 0.7464                 0.3860
  Dep-U Fr= 1--      0.8569                 0.8548                 0.5570
 Alpha2 Fr= 1--      0.0000                 0.0002                 0.0023
 Beta2  Fr= 1--      0.5332                 0.5820                 0.0278
 AlphaG Fr= 1--      0.0001                 0.0011                -0.0023
 Gamma2 Fr= 1--     -0.6064                -0.3139                -0.0996
 Delta2 Fr= 1--     -0.7544                -0.0268                -0.0947
 Raman1 Fr= 1--      14.932                 16.341                  1.199
 ROA1   Fr= 1--     -82.354                -30.996                -12.598
 CID1   Fr= 1--      -5.515                 -1.897                -10.503
 Raman2 Fr= 1--       6.398                  6.984                  0.334
 ROA2   Fr= 1--      -8.518                 -7.320                 -1.633
 CID2   Fr= 1--      -1.331                 -1.048                 -4.890
 Raman3 Fr= 1--      12.796                 13.968                  0.668
 ROA3   Fr= 1--     -82.354                -30.996                -12.598
 CID3   Fr= 1--      -6.436                 -2.219                -18.857
 RC180  Fr= 1--       0.714                  0.710                  0.114
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.03   0.13    -0.02  -0.03   0.08    -0.11   0.01  -0.01
     2   6    -0.02  -0.06   0.16    -0.01   0.02  -0.11    -0.08  -0.08  -0.04
     3   6    -0.00  -0.03   0.04    -0.00   0.04  -0.17    -0.01  -0.11  -0.05
     4   6     0.02   0.02  -0.12    -0.01   0.03  -0.14     0.04  -0.07  -0.03
     5   6     0.02   0.04  -0.16    -0.02  -0.02   0.05     0.03   0.02   0.01
     6   6    -0.00   0.01  -0.03    -0.03  -0.06   0.19    -0.05   0.06   0.02
     7   6    -0.00  -0.04   0.06    -0.00   0.01  -0.04    -0.01  -0.02  -0.01
     8   7     0.04  -0.13  -0.15    -0.13  -0.04  -0.00     0.11   0.08   0.04
     9   6    -0.03   0.21   0.08     0.22   0.06   0.07     0.05   0.06   0.03
    10   1     0.04  -0.13  -0.19    -0.14  -0.05   0.22     0.10   0.15  -0.05
    11   1    -0.00  -0.13   0.21    -0.05  -0.03   0.03    -0.14   0.00  -0.02
    12   1    -0.03   0.32  -0.06     0.28   0.11  -0.02     0.49  -0.09   0.12
    13   1    -0.06   0.29   0.24     0.35   0.12   0.05    -0.26  -0.19  -0.13
    14   1    -0.03   0.22   0.09     0.22   0.00   0.26    -0.03   0.52   0.14
    15   1     0.03   0.04  -0.21    -0.01   0.04  -0.19     0.10  -0.10  -0.02
    16   1     0.04   0.08  -0.28    -0.03  -0.04   0.10     0.09   0.06   0.04
    17   1    -0.00   0.03  -0.06    -0.04  -0.11   0.37    -0.06   0.11   0.05
    18   1    -0.04  -0.05   0.23    -0.02  -0.05   0.17    -0.17   0.04  -0.00
    19   1    -0.04  -0.09   0.27    -0.00   0.03  -0.15    -0.15  -0.13  -0.06
    20   1     0.09  -0.27  -0.16    -0.33  -0.11  -0.08     0.20   0.14   0.09
                      4                      5                      6
                      A                      A                      A
 Frequencies --    256.6705               283.4791               309.1102
 Red. masses --      1.3623                 1.1682                 3.0174
 Frc consts  --      0.0529                 0.0553                 0.1699
 IR Inten    --     14.6442                21.7654                 2.4705
 RamAct Fr= 1--      0.1062                 1.0546                 0.9625
  Dep-P Fr= 1--      0.7370                 0.4043                 0.1816
  Dep-U Fr= 1--      0.8486                 0.5758                 0.3074
 Alpha2 Fr= 1--      0.0000                 0.0077                 0.0137
 Beta2  Fr= 1--      0.0150                 0.1012                 0.0493
 AlphaG Fr= 1--      0.0004                -0.0028                -0.0013
 Gamma2 Fr= 1--      0.0335                 0.0018                -0.4523
 Delta2 Fr= 1--      0.0752                -0.0627                -0.0838
 Raman1 Fr= 1--       0.425                  4.218                  3.850
 ROA1   Fr= 1--       5.621                 -1.830                -46.104
 CID1   Fr= 1--      13.230                 -0.434                -11.975
 Raman2 Fr= 1--       0.180                  1.214                  0.592
 ROA2   Fr= 1--       0.202                  0.546                -10.186
 CID2   Fr= 1--       1.121                  0.450                -17.212
 Raman3 Fr= 1--       0.361                  2.429                  1.184
 ROA3   Fr= 1--       5.621                 -1.830                -46.104
 CID3   Fr= 1--      15.590                 -0.753                -38.952
 RC180  Fr= 1--       0.697                  0.152                 -0.385
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.00  -0.00     0.03  -0.00   0.01    -0.04  -0.01   0.05
     2   6    -0.04  -0.05  -0.02     0.03  -0.01   0.01    -0.05  -0.01   0.16
     3   6     0.01  -0.07  -0.02     0.02  -0.00   0.01    -0.02   0.02   0.03
     4   6     0.04  -0.05  -0.00     0.03   0.00   0.01    -0.07  -0.04   0.16
     5   6     0.03   0.01   0.00     0.03   0.01  -0.00    -0.07  -0.02   0.03
     6   6    -0.01   0.03   0.00     0.04   0.01  -0.01    -0.05   0.02  -0.16
     7   6    -0.00  -0.00  -0.01    -0.00   0.00  -0.01     0.02   0.04  -0.11
     8   7     0.07   0.07   0.04    -0.05  -0.02  -0.00     0.02   0.03  -0.11
     9   6    -0.02   0.03  -0.02    -0.06   0.02  -0.04     0.22  -0.02  -0.04
    10   1     0.02   0.30   0.39    -0.10   0.17   0.53    -0.01   0.14   0.13
    11   1    -0.07   0.02  -0.03     0.00  -0.00  -0.01     0.02   0.04  -0.11
    12   1    -0.39   0.23  -0.19     0.16  -0.10   0.07     0.35  -0.06  -0.03
    13   1     0.27   0.31   0.20    -0.30  -0.15  -0.12     0.37  -0.02  -0.19
    14   1     0.05  -0.39  -0.06    -0.11   0.31  -0.07     0.21  -0.06   0.19
    15   1     0.07  -0.07  -0.00     0.04  -0.00   0.01    -0.11  -0.04   0.25
    16   1     0.07   0.04   0.00     0.03   0.01  -0.01    -0.07  -0.03   0.03
    17   1    -0.02   0.07   0.00     0.04   0.01  -0.02    -0.04   0.06  -0.37
    18   1    -0.09   0.01   0.00     0.03   0.00   0.01    -0.02  -0.02   0.06
    19   1    -0.07  -0.08  -0.05     0.03  -0.00  -0.01    -0.06  -0.04   0.24
    20   1    -0.21  -0.12  -0.09    -0.49  -0.30  -0.21    -0.18  -0.14  -0.21
                      7                      8                      9
                      A                      A                      A
 Frequencies --    368.5042               416.7400               483.8809
 Red. masses --      2.8724                 2.9574                 3.1929
 Frc consts  --      0.2298                 0.3026                 0.4405
 IR Inten    --     10.5867                 0.0593                 3.4040
 RamAct Fr= 1--      1.2681                 0.0146                 3.4412
  Dep-P Fr= 1--      0.3191                 0.4200                 0.0935
  Dep-U Fr= 1--      0.4838                 0.5915                 0.1710
 Alpha2 Fr= 1--      0.0123                 0.0001                 0.0612
 Beta2  Fr= 1--      0.1023                 0.0014                 0.0981
 AlphaG Fr= 1--      0.0008                -0.0029                -0.0054
 Gamma2 Fr= 1--      0.4823                -0.1640                 0.0900
 Delta2 Fr= 1--      0.1175                -0.0275                -0.1039
 Raman1 Fr= 1--       5.072                  0.059                 13.765
 ROA1   Fr= 1--      50.065                -16.627                  5.316
 CID1   Fr= 1--       9.870               -283.810                  0.386
 Raman2 Fr= 1--       1.227                  0.017                  1.177
 ROA2   Fr= 1--      10.637                 -3.718                  2.991
 CID2   Fr= 1--       8.669               -214.539                  2.540
 Raman3 Fr= 1--       2.454                  0.035                  2.354
 ROA3   Fr= 1--      50.065                -16.627                  5.316
 CID3   Fr= 1--      20.401               -479.785                  2.258
 RC180  Fr= 1--      -0.032                  0.183                 -0.658
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.03  -0.03     0.01   0.05  -0.20    -0.04   0.03   0.02
     2   6    -0.02   0.10  -0.06    -0.02  -0.05   0.21    -0.04   0.10   0.01
     3   6    -0.01   0.06   0.06     0.00  -0.00   0.01     0.06   0.06  -0.00
     4   6    -0.09   0.06  -0.06     0.01   0.05  -0.21    -0.06   0.00   0.01
     5   6    -0.10  -0.00  -0.05    -0.02  -0.05   0.20    -0.08  -0.05  -0.01
     6   6    -0.09  -0.04   0.07    -0.01  -0.00   0.00    -0.12  -0.03  -0.03
     7   6     0.04  -0.01   0.09     0.01  -0.00  -0.00     0.18  -0.11  -0.06
     8   7     0.24  -0.02  -0.09     0.01  -0.00  -0.00     0.07  -0.13   0.19
     9   6     0.01  -0.11   0.07     0.00   0.00  -0.00     0.03   0.10  -0.15
    10   1     0.18   0.36   0.25     0.00   0.03   0.06     0.08  -0.17   0.27
    11   1     0.07  -0.04   0.12     0.02  -0.01   0.00     0.26  -0.11  -0.09
    12   1     0.02  -0.22   0.22    -0.00   0.01  -0.01     0.04   0.25  -0.36
    13   1     0.01  -0.18  -0.06     0.00   0.01   0.00    -0.21   0.14   0.16
    14   1     0.01  -0.12   0.05     0.00   0.00  -0.01     0.01   0.29  -0.32
    15   1    -0.15   0.10  -0.12     0.02   0.11  -0.44    -0.17   0.05   0.03
    16   1    -0.11   0.00  -0.11    -0.03  -0.11   0.43    -0.07  -0.04  -0.00
    17   1    -0.09  -0.10   0.16    -0.01  -0.00   0.01    -0.12  -0.05  -0.06
    18   1     0.04   0.02  -0.07     0.03   0.11  -0.44     0.05  -0.02   0.04
    19   1    -0.01   0.12  -0.16    -0.03  -0.10   0.43    -0.07   0.07   0.02
    20   1     0.03  -0.48  -0.23    -0.04  -0.04  -0.02    -0.01   0.20   0.21
                     10                     11                     12
                      A                      A                      A
 Frequencies --    549.3697               600.3454               638.3303
 Red. masses --      3.0269                 3.1719                 6.3917
 Frc consts  --      0.5382                 0.6736                 1.5345
 IR Inten    --     14.2941                14.8649                 0.1232
 RamAct Fr= 1--      0.4758                 1.1911                 4.2945
  Dep-P Fr= 1--      0.2237                 0.7064                 0.7412
  Dep-U Fr= 1--      0.3656                 0.8279                 0.8513
 Alpha2 Fr= 1--      0.0061                 0.0009                 0.0006
 Beta2  Fr= 1--      0.0290                 0.1644                 0.6094
 AlphaG Fr= 1--     -0.0015                 0.0016                -0.0036
 Gamma2 Fr= 1--      0.1211                -0.0749                -0.0300
 Delta2 Fr= 1--     -0.0117                -0.1262                -0.0360
 Raman1 Fr= 1--       1.903                  4.764                 17.178
 ROA1   Fr= 1--      11.248                -11.225                 -4.029
 CID1   Fr= 1--       5.911                 -2.356                 -0.235
 Raman2 Fr= 1--       0.348                  1.972                  7.312
 ROA2   Fr= 1--       2.999                 -0.787                 -0.431
 CID2   Fr= 1--       8.622                 -0.399                 -0.059
 Raman3 Fr= 1--       0.696                  3.945                 14.625
 ROA3   Fr= 1--      11.248                -11.225                 -4.029
 CID3   Fr= 1--      16.167                 -2.846                 -0.275
 RC180  Fr= 1--      -0.269                  0.656                  0.703
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.03  -0.13    -0.07   0.07   0.03    -0.22  -0.26  -0.07
     2   6    -0.02  -0.02   0.04    -0.02   0.02  -0.01    -0.26   0.18   0.02
     3   6     0.00  -0.08   0.27     0.16  -0.02  -0.02    -0.01   0.13   0.03
     4   6     0.01  -0.04   0.05     0.04  -0.16  -0.05     0.21   0.22   0.06
     5   6     0.02   0.02  -0.14     0.02  -0.10  -0.01     0.29  -0.21  -0.03
     6   6    -0.03  -0.05   0.18    -0.16   0.01  -0.03     0.01  -0.14  -0.04
     7   6     0.02   0.03  -0.05     0.17   0.20   0.12     0.00   0.01   0.01
     8   7    -0.08   0.03  -0.01    -0.08   0.05  -0.05    -0.01   0.04  -0.01
     9   6     0.07   0.03  -0.08    -0.01   0.00   0.02    -0.01  -0.00   0.02
    10   1    -0.05  -0.14  -0.02    -0.02  -0.43  -0.10    -0.00   0.01  -0.03
    11   1     0.09   0.07  -0.12     0.14   0.18   0.16     0.03   0.02   0.01
    12   1     0.15   0.06  -0.14    -0.26  -0.17   0.33    -0.01  -0.02   0.05
    13   1     0.14   0.06  -0.09    -0.09  -0.12  -0.12    -0.00  -0.01   0.00
    14   1     0.07   0.03   0.05     0.03  -0.08  -0.32    -0.01  -0.01   0.02
    15   1     0.02   0.04  -0.24    -0.04  -0.13  -0.00     0.06   0.28   0.08
    16   1     0.06   0.12  -0.48     0.17   0.00   0.07     0.16  -0.31  -0.03
    17   1    -0.03  -0.04   0.21    -0.16   0.04  -0.01    -0.04   0.28   0.06
    18   1     0.01   0.11  -0.48    -0.00   0.03   0.08    -0.06  -0.33  -0.06
    19   1    -0.02   0.03  -0.25    -0.17  -0.11  -0.01    -0.14   0.26   0.06
    20   1    -0.11   0.11  -0.02    -0.15  -0.15  -0.11    -0.01  -0.01  -0.02
                     13                     14                     15
                      A                      A                      A
 Frequencies --    716.6841               768.9730               779.6976
 Red. masses --      1.7146                 3.2334                 1.9162
 Frc consts  --      0.5189                 1.1265                 0.6864
 IR Inten    --     44.9095                 9.0837                26.8328
 RamAct Fr= 1--      0.0688                15.3619                 0.7139
  Dep-P Fr= 1--      0.0296                 0.0218                 0.7423
  Dep-U Fr= 1--      0.0574                 0.0427                 0.8521
 Alpha2 Fr= 1--      0.0014                 0.3244                 0.0001
 Beta2  Fr= 1--      0.0007                 0.1093                 0.1014
 AlphaG Fr= 1--     -0.0028                -0.0316                 0.0008
 Gamma2 Fr= 1--     -0.0019                 0.4307                 0.3178
 Delta2 Fr= 1--      0.0133                 0.2651                -0.0304
 Raman1 Fr= 1--       0.275                 61.448                  2.856
 ROA1   Fr= 1--       0.239                 49.833                 29.536
 CID1   Fr= 1--       0.868                  0.811                 10.343
 Raman2 Fr= 1--       0.008                  1.312                  1.217
 ROA2   Fr= 1--      -0.153                  8.216                  7.870
 CID2   Fr= 1--     -19.319                  6.261                  6.469
 Raman3 Fr= 1--       0.016                  2.624                  2.433
 ROA3   Fr= 1--       0.239                 49.833                 29.536
 CID3   Fr= 1--      15.119                 18.989                 12.139
 RC180  Fr= 1--      -0.885                 -0.915                  0.704
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.03  -0.14     0.07   0.18   0.04     0.01   0.01   0.02
     2   6    -0.01  -0.02   0.07     0.04   0.16   0.06     0.01   0.03  -0.08
     3   6     0.01   0.02  -0.09     0.10   0.02  -0.03    -0.00  -0.05   0.21
     4   6    -0.00  -0.01   0.07     0.07  -0.12  -0.01     0.01   0.01  -0.09
     5   6     0.01   0.04  -0.14     0.09  -0.14  -0.04     0.01  -0.02   0.00
     6   6    -0.00  -0.02   0.06    -0.15  -0.03   0.01    -0.01   0.03  -0.13
     7   6     0.00  -0.00   0.00    -0.13  -0.11  -0.09    -0.02  -0.02  -0.01
     8   7     0.01  -0.00   0.00    -0.03   0.00  -0.04    -0.02   0.02  -0.01
     9   6    -0.00   0.00  -0.00    -0.08  -0.04   0.08     0.01  -0.00  -0.03
    10   1     0.00   0.01   0.02    -0.08   0.45   0.01    -0.02  -0.01  -0.01
    11   1    -0.02  -0.00   0.01    -0.10  -0.08  -0.12     0.04   0.02  -0.08
    12   1    -0.03  -0.01   0.02     0.14   0.06  -0.12     0.12   0.04  -0.11
    13   1    -0.02  -0.01   0.00     0.03   0.05   0.16     0.08   0.04  -0.02
    14   1     0.00  -0.00  -0.03    -0.11   0.00   0.41    -0.01   0.01   0.14
    15   1    -0.03  -0.12   0.50    -0.04  -0.07  -0.02    -0.00  -0.02   0.03
    16   1    -0.02  -0.06   0.23     0.26   0.00  -0.08    -0.01  -0.13   0.53
    17   1    -0.04  -0.14   0.56    -0.14  -0.03  -0.09    -0.05  -0.14   0.52
    18   1    -0.01  -0.05   0.20     0.31   0.10  -0.06    -0.01  -0.11   0.49
    19   1    -0.02  -0.10   0.46    -0.05   0.10   0.02    -0.00   0.01  -0.02
    20   1    -0.00  -0.02  -0.01     0.07   0.27   0.04    -0.03   0.01  -0.01
                     16                     17                     18
                      A                      A                      A
 Frequencies --    842.9749               864.3076               921.9632
 Red. masses --      1.3856                 1.2554                 2.0579
 Frc consts  --      0.5801                 0.5525                 1.0306
 IR Inten    --     95.5088                 3.2954                 3.0032
 RamAct Fr= 1--      1.4952                 0.8476                 4.7337
  Dep-P Fr= 1--      0.7381                 0.5654                 0.6526
  Dep-U Fr= 1--      0.8493                 0.7224                 0.7898
 Alpha2 Fr= 1--      0.0003                 0.0030                 0.0083
 Beta2  Fr= 1--      0.2116                 0.1021                 0.6231
 AlphaG Fr= 1--     -0.0021                 0.0042                -0.0003
 Gamma2 Fr= 1--     -0.8991                 0.6281                 0.6115
 Delta2 Fr= 1--     -0.3917                 0.4842                -0.3929
 Raman1 Fr= 1--       5.981                  3.390                 18.935
 ROA1   Fr= 1--     -98.848                 75.797                 46.130
 CID1   Fr= 1--     -16.528                 22.356                  2.436
 Raman2 Fr= 1--       2.540                  1.225                  7.477
 ROA2   Fr= 1--     -18.445                 11.202                 17.819
 CID2   Fr= 1--      -7.263                  9.147                  2.383
 Raman3 Fr= 1--       5.079                  2.449                 14.954
 ROA3   Fr= 1--     -98.848                 75.797                 46.130
 CID3   Fr= 1--     -19.460                 30.947                  3.085
 RC180  Fr= 1--       0.699                  0.445                  0.580
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.02     0.01   0.02  -0.08    -0.03  -0.05  -0.00
     2   6    -0.00  -0.02  -0.02     0.00   0.02  -0.05    -0.01  -0.04   0.03
     3   6     0.00  -0.00   0.02    -0.00   0.00  -0.01     0.04   0.01  -0.02
     4   6    -0.00  -0.01   0.01    -0.00  -0.02   0.07    -0.01   0.01   0.06
     5   6     0.01  -0.00   0.01    -0.01  -0.02   0.07    -0.05   0.05  -0.01
     6   6     0.00   0.01  -0.01    -0.00   0.00  -0.01     0.02   0.01  -0.05
     7   6    -0.01   0.08   0.01     0.00  -0.02  -0.00     0.14  -0.03  -0.09
     8   7    -0.01  -0.13  -0.03     0.00   0.03   0.01    -0.03   0.05  -0.09
     9   6     0.01   0.05  -0.01    -0.00  -0.01   0.01    -0.03  -0.08   0.16
    10   1    -0.06   0.47   0.25     0.01  -0.09  -0.04    -0.04   0.11   0.11
    11   1     0.05  -0.07   0.21    -0.01   0.01  -0.04     0.24   0.00  -0.15
    12   1    -0.10  -0.11   0.24     0.02   0.02  -0.05    -0.07   0.07  -0.02
    13   1     0.09  -0.05  -0.26    -0.02   0.01   0.06    -0.26  -0.02   0.49
    14   1     0.04  -0.11  -0.10    -0.01   0.03   0.02    -0.05   0.11   0.01
    15   1     0.01   0.03  -0.13     0.03   0.12  -0.48     0.00   0.10  -0.26
    16   1     0.01   0.02  -0.07     0.03   0.12  -0.47    -0.10  -0.01   0.08
    17   1    -0.00   0.01   0.06    -0.01  -0.02   0.07    -0.00  -0.09   0.31
    18   1    -0.04  -0.04   0.12    -0.03  -0.12   0.52    -0.08  -0.01  -0.10
    19   1    -0.02  -0.05   0.08    -0.02  -0.08   0.41    -0.01  -0.00  -0.23
    20   1     0.10   0.60   0.15    -0.03  -0.12  -0.03    -0.13   0.44  -0.05
                     19                     20                     21
                      A                      A                      A
 Frequencies --    934.0109               968.6877               990.1679
 Red. masses --      1.4990                 1.3062                 1.2879
 Frc consts  --      0.7704                 0.7221                 0.7439
 IR Inten    --      4.0049                 0.0239                 1.1194
 RamAct Fr= 1--      0.9401                 0.0250                 0.2693
  Dep-P Fr= 1--      0.6647                 0.7340                 0.2571
  Dep-U Fr= 1--      0.7986                 0.8466                 0.4090
 Alpha2 Fr= 1--      0.0014                 0.0000                 0.0031
 Beta2  Fr= 1--      0.1251                 0.0035                 0.0184
 AlphaG Fr= 1--     -0.0053                 0.0007                -0.0014
 Gamma2 Fr= 1--     -1.2002                 0.1563                 0.3562
 Delta2 Fr= 1--      0.2458                -0.0747                -0.2007
 Raman1 Fr= 1--       3.760                  0.100                  1.077
 ROA1   Fr= 1--    -107.356                 12.610                 27.769
 CID1   Fr= 1--     -28.551                126.267                 25.780
 Raman2 Fr= 1--       1.501                  0.042                  0.220
 ROA2   Fr= 1--     -30.771                  4.348                 10.154
 CID2   Fr= 1--     -20.495                102.862                 46.091
 Raman3 Fr= 1--       3.003                  0.085                  0.441
 ROA3   Fr= 1--    -107.356                 12.610                 27.769
 CID3   Fr= 1--     -35.752                149.147                 63.026
 RC180  Fr= 1--       0.597                  0.693                 -0.182
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02   0.04    -0.00  -0.00   0.02    -0.01  -0.03   0.10
     2   6    -0.00   0.00   0.07     0.00   0.01  -0.06     0.01   0.02  -0.10
     3   6    -0.02   0.01  -0.08    -0.00  -0.00   0.01     0.00  -0.00   0.02
     4   6    -0.00  -0.03   0.10    -0.00  -0.02   0.08     0.00   0.00   0.00
     5   6     0.02  -0.01  -0.03     0.01   0.03  -0.11    -0.00  -0.00   0.02
     6   6     0.00   0.02  -0.09    -0.01  -0.02   0.06    -0.01   0.01  -0.04
     7   6    -0.05   0.01   0.02     0.00   0.00  -0.00     0.00  -0.00   0.00
     8   7     0.02  -0.02   0.04     0.00   0.00   0.00    -0.00   0.01  -0.01
     9   6     0.01   0.03  -0.04    -0.00   0.00   0.00    -0.00  -0.00  -0.01
    10   1     0.03  -0.06  -0.06     0.01  -0.02   0.00    -0.00   0.00   0.02
    11   1    -0.15  -0.02   0.08     0.01  -0.00  -0.00     0.03   0.00  -0.01
    12   1    -0.03  -0.04   0.06     0.01   0.00  -0.00     0.02   0.01  -0.02
    13   1     0.05  -0.02  -0.16     0.01   0.01  -0.01     0.01   0.01   0.01
    14   1     0.03  -0.05  -0.08    -0.01  -0.00   0.03    -0.01   0.01   0.04
    15   1     0.04   0.12  -0.53     0.03   0.12  -0.49    -0.00  -0.01   0.05
    16   1     0.03  -0.03   0.09    -0.04  -0.16   0.65     0.01   0.04  -0.14
    17   1    -0.04  -0.14   0.55     0.02   0.10  -0.41    -0.03  -0.07   0.29
    18   1     0.06   0.07  -0.23    -0.00   0.00  -0.02     0.03   0.15  -0.62
    19   1     0.03   0.11  -0.34    -0.01  -0.06   0.28    -0.02  -0.15   0.66
    20   1     0.06  -0.21   0.03    -0.01  -0.01  -0.01    -0.02   0.01  -0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1005.2777              1025.6755              1053.7685
 Red. masses --      1.6119                 6.0827                 2.2093
 Frc consts  --      0.9598                 3.7702                 1.4454
 IR Inten    --      3.0317                 0.0127                 6.1476
 RamAct Fr= 1--      6.1827                48.0419                18.1212
  Dep-P Fr= 1--      0.4566                 0.0440                 0.0382
  Dep-U Fr= 1--      0.6270                 0.0843                 0.0736
 Alpha2 Fr= 1--      0.0369                 0.9626                 0.3681
 Beta2  Fr= 1--      0.6460                 0.6751                 0.2223
 AlphaG Fr= 1--     -0.0163                 0.0356                 0.0120
 Gamma2 Fr= 1--      1.1983                -0.4626                -0.1480
 Delta2 Fr= 1--      0.7228                -0.1684                 0.0158
 Raman1 Fr= 1--      24.731                192.168                 72.485
 ROA1   Fr= 1--     138.166                -49.799                -13.701
 CID1   Fr= 1--       5.587                 -0.259                 -0.189
 Raman2 Fr= 1--       7.753                  8.101                  2.668
 ROA2   Fr= 1--      22.977                 -9.755                 -3.679
 CID2   Fr= 1--       2.964                 -1.204                 -1.379
 Raman3 Fr= 1--      15.505                 16.201                  5.336
 ROA3   Fr= 1--     138.166                -49.799                -13.701
 CID3   Fr= 1--       8.911                 -3.074                 -2.568
 RC180  Fr= 1--       0.254                 -0.831                 -0.853
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02  -0.01    -0.01  -0.04  -0.01     0.00   0.19   0.05
     2   6     0.01  -0.03   0.00    -0.24   0.31   0.05    -0.04  -0.08  -0.03
     3   6     0.02   0.01  -0.02     0.01  -0.01   0.01    -0.03  -0.01   0.00
     4   6     0.00   0.01   0.00    -0.14  -0.34  -0.10    -0.05   0.07   0.01
     5   6    -0.01   0.01   0.00    -0.03   0.04   0.01     0.05  -0.18  -0.04
     6   6    -0.02   0.00  -0.00     0.38   0.04   0.03     0.13   0.01   0.01
     7   6     0.03   0.08  -0.10     0.03   0.01  -0.04     0.02   0.01  -0.02
     8   7     0.07  -0.06   0.04     0.02  -0.01   0.00     0.01  -0.00  -0.00
     9   6    -0.14   0.03   0.04    -0.02   0.01   0.02     0.00  -0.00   0.02
    10   1     0.11  -0.45   0.13     0.03  -0.12   0.05     0.02  -0.07   0.02
    11   1     0.12   0.11  -0.18    -0.03   0.02  -0.03     0.02   0.01  -0.03
    12   1     0.17  -0.07   0.10    -0.01  -0.03   0.07    -0.02  -0.00   0.02
    13   1     0.29   0.08  -0.26     0.02  -0.00  -0.03    -0.02  -0.01   0.03
    14   1    -0.15  -0.14   0.62    -0.02  -0.03   0.06     0.00   0.01  -0.02
    15   1    -0.01   0.02   0.02    -0.11  -0.38  -0.08    -0.37   0.20   0.03
    16   1    -0.01   0.02  -0.02    -0.03   0.02  -0.01    -0.25  -0.41  -0.12
    17   1    -0.02   0.02   0.03     0.40   0.02   0.04     0.14  -0.00   0.01
    18   1    -0.04  -0.01  -0.01     0.00  -0.02  -0.04    -0.34   0.34   0.05
    19   1     0.01  -0.02  -0.04    -0.24   0.31   0.13    -0.33  -0.30  -0.06
    20   1    -0.14   0.06  -0.02    -0.06   0.07  -0.02    -0.03   0.04  -0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1067.0634              1106.8477              1133.0728
 Red. masses --      1.6760                 1.6605                 2.1414
 Frc consts  --      1.1243                 1.1986                 1.6198
 IR Inten    --     10.7573                 4.6372                12.0688
 RamAct Fr= 1--      3.7509                 5.8680                 2.9448
  Dep-P Fr= 1--      0.1106                 0.1144                 0.5833
  Dep-U Fr= 1--      0.1991                 0.2054                 0.7368
 Alpha2 Fr= 1--      0.0640                 0.0992                 0.0092
 Beta2  Fr= 1--      0.1245                 0.2008                 0.3616
 AlphaG Fr= 1--      0.0009                 0.0369                 0.0412
 Gamma2 Fr= 1--      0.2299                 1.0667                -2.8748
 Delta2 Fr= 1--     -0.5044                 0.0355                -0.7517
 Raman1 Fr= 1--      15.004                 23.472                 11.779
 ROA1   Fr= 1--       5.929                103.539               -300.036
 CID1   Fr= 1--       0.395                  4.411                -25.472
 Raman2 Fr= 1--       1.494                  2.410                  4.339
 ROA2   Fr= 1--       9.553                 25.317                -62.981
 CID2   Fr= 1--       6.395                 10.505                -14.514
 Raman3 Fr= 1--       2.988                  4.820                  8.679
 ROA3   Fr= 1--       5.929                103.539               -300.036
 CID3   Fr= 1--       1.985                 21.481                -34.570
 RC180  Fr= 1--      -0.602                 -0.589                  0.474
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.05   0.01    -0.02  -0.02  -0.01     0.04   0.04   0.01
     2   6    -0.04   0.04  -0.00     0.09  -0.01  -0.00    -0.05   0.01  -0.01
     3   6    -0.03  -0.07   0.02    -0.08   0.01   0.03    -0.08  -0.03   0.03
     4   6     0.04   0.06   0.01    -0.08  -0.04  -0.02     0.05   0.01  -0.00
     5   6    -0.03   0.03   0.01     0.08  -0.05  -0.01     0.01   0.01   0.00
     6   6    -0.02  -0.05  -0.01    -0.03   0.06   0.01    -0.02  -0.04  -0.01
     7   6     0.02  -0.11  -0.10    -0.02  -0.00  -0.10    -0.06   0.19  -0.11
     8   7     0.02   0.06  -0.00     0.03  -0.01   0.01     0.04  -0.12   0.03
     9   6     0.02   0.09   0.06     0.04   0.02   0.07     0.06  -0.06   0.07
    10   1     0.05  -0.31   0.04     0.05  -0.18   0.03     0.05  -0.06   0.05
    11   1    -0.28  -0.21   0.15    -0.14  -0.01  -0.05    -0.14   0.35  -0.34
    12   1    -0.24  -0.15   0.44    -0.18  -0.02   0.18    -0.16   0.10  -0.08
    13   1    -0.02  -0.11  -0.24    -0.14  -0.08   0.06    -0.24  -0.03   0.36
    14   1     0.07  -0.18  -0.22     0.06  -0.01  -0.24     0.04   0.17  -0.24
    15   1     0.21  -0.02   0.05    -0.33   0.04   0.03     0.34  -0.12   0.03
    16   1    -0.11  -0.03  -0.01     0.28   0.08   0.04    -0.01  -0.00   0.00
    17   1     0.01  -0.26  -0.08    -0.08   0.43   0.10     0.01  -0.23  -0.06
    18   1     0.19  -0.02   0.01    -0.16   0.03   0.01     0.23  -0.03   0.00
    19   1    -0.10  -0.01   0.04     0.46   0.26   0.11    -0.16  -0.07   0.03
    20   1    -0.21   0.17  -0.08    -0.08   0.01  -0.03     0.11  -0.17   0.06
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1183.7048              1198.9037              1205.9546
 Red. masses --      1.1191                 1.3368                 1.6553
 Frc consts  --      0.9239                 1.1321                 1.4183
 IR Inten    --      0.2006                 2.0854                 1.7705
 RamAct Fr= 1--      4.3458                10.5636                 6.1327
  Dep-P Fr= 1--      0.7405                 0.2474                 0.2174
  Dep-U Fr= 1--      0.8509                 0.3967                 0.3571
 Alpha2 Fr= 1--      0.0007                 0.1261                 0.0795
 Beta2  Fr= 1--      0.6163                 0.6984                 0.3650
 AlphaG Fr= 1--     -0.0004                 0.0274                 0.0078
 Gamma2 Fr= 1--      0.1931                 0.9573                -0.3193
 Delta2 Fr= 1--      0.0585                 1.1782                -0.1389
 Raman1 Fr= 1--      17.383                 42.255                 24.531
 ROA1   Fr= 1--      20.404                129.603                -35.097
 CID1   Fr= 1--       1.174                  3.067                 -1.431
 Raman2 Fr= 1--       7.396                  8.381                  4.381
 ROA2   Fr= 1--       4.166                 13.550                 -6.552
 CID2   Fr= 1--       0.563                  1.617                 -1.496
 Raman3 Fr= 1--      14.791                 16.762                  8.761
 ROA3   Fr= 1--      20.404                129.603                -35.097
 CID3   Fr= 1--       1.379                  7.732                 -4.006
 RC180  Fr= 1--       0.702                 -0.207                 -0.286
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.02  -0.00    -0.01   0.05   0.01    -0.07  -0.02  -0.01
     2   6    -0.00  -0.01  -0.00     0.01   0.02   0.01     0.06   0.03   0.01
     3   6     0.01   0.00   0.00    -0.11  -0.01  -0.02     0.15   0.01   0.03
     4   6     0.01  -0.01  -0.00     0.04  -0.02  -0.00     0.05  -0.01  -0.00
     5   6    -0.04  -0.03  -0.01    -0.01  -0.05  -0.01    -0.07   0.01  -0.00
     6   6    -0.01   0.07   0.02    -0.01   0.00  -0.00     0.01   0.00   0.00
     7   6    -0.00  -0.01  -0.01     0.03   0.01   0.06    -0.04  -0.01  -0.08
     8   7    -0.00   0.00   0.00     0.02   0.01  -0.03    -0.03  -0.02   0.04
     9   6     0.00   0.01   0.00    -0.01  -0.03  -0.02     0.01   0.04   0.03
    10   1    -0.00   0.01  -0.01     0.03  -0.14   0.12    -0.05   0.25  -0.17
    11   1    -0.01  -0.01  -0.01     0.09  -0.04   0.13    -0.08   0.05  -0.17
    12   1    -0.01  -0.01   0.03     0.09   0.04  -0.14    -0.11  -0.05   0.18
    13   1    -0.01  -0.01  -0.01     0.04   0.03   0.03    -0.05  -0.04  -0.05
    14   1     0.01  -0.01  -0.01    -0.02   0.04   0.04     0.02  -0.06  -0.05
    15   1     0.13  -0.06  -0.01     0.54  -0.23  -0.03     0.17  -0.05   0.01
    16   1    -0.38  -0.27  -0.09    -0.26  -0.24  -0.08    -0.41  -0.24  -0.09
    17   1    -0.09   0.66   0.16    -0.01   0.02   0.00     0.01  -0.02  -0.00
    18   1     0.44  -0.19  -0.02    -0.23   0.14   0.02    -0.52   0.16   0.00
    19   1    -0.15  -0.12  -0.03     0.40   0.32   0.07     0.19   0.12   0.06
    20   1     0.01  -0.02   0.00    -0.10   0.21  -0.04     0.17  -0.33   0.06
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1258.1689              1333.4907              1355.1139
 Red. masses --      1.4603                 2.8708                 1.7307
 Frc consts  --      1.3620                 3.0076                 1.8725
 IR Inten    --      0.5012                 6.5239                 4.6620
 RamAct Fr= 1--     12.0622                 1.5652                 0.5861
  Dep-P Fr= 1--      0.1808                 0.2529                 0.7257
  Dep-U Fr= 1--      0.3063                 0.4037                 0.8411
 Alpha2 Fr= 1--      0.1723                 0.0184                 0.0002
 Beta2  Fr= 1--      0.6158                 0.1053                 0.0822
 AlphaG Fr= 1--     -0.0831                 0.0354                -0.0008
 Gamma2 Fr= 1--     -1.2475                -0.6105                -0.5430
 Delta2 Fr= 1--      0.2083                -0.1916                 0.2288
 Raman1 Fr= 1--      48.249                  6.261                  2.344
 ROA1   Fr= 1--    -113.091                -64.741                -44.807
 CID1   Fr= 1--      -2.344                -10.341                -19.113
 Raman2 Fr= 1--       7.389                  1.264                  0.986
 ROA2   Fr= 1--     -31.605                -13.119                -14.863
 CID2   Fr= 1--      -4.277                -10.383                -15.076
 Raman3 Fr= 1--      14.778                  2.527                  1.972
 ROA3   Fr= 1--    -113.091                -64.741                -44.807
 CID3   Fr= 1--      -7.653                -25.618                -22.725
 RC180  Fr= 1--      -0.387                 -0.193                  0.682
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.01   0.01     0.12  -0.09  -0.01    -0.06   0.00  -0.00
     2   6    -0.03  -0.04  -0.01    -0.06  -0.07  -0.02     0.13   0.06   0.02
     3   6    -0.11   0.07   0.01     0.04   0.24   0.06     0.01   0.02   0.01
     4   6    -0.00  -0.03  -0.01     0.12  -0.07  -0.01    -0.13   0.03  -0.00
     5   6     0.01  -0.04  -0.01    -0.12  -0.08  -0.03     0.05   0.03   0.01
     6   6    -0.00   0.02   0.00    -0.01   0.11   0.03     0.02  -0.12  -0.03
     7   6     0.05  -0.04  -0.05    -0.13   0.00  -0.03    -0.04   0.01  -0.02
     8   7    -0.04   0.02   0.04     0.06   0.02  -0.00     0.01   0.01   0.01
     9   6    -0.01   0.06   0.03     0.04  -0.03  -0.01     0.01  -0.01  -0.00
    10   1    -0.06   0.29  -0.17     0.08  -0.31   0.08     0.02  -0.08  -0.01
    11   1     0.69  -0.08  -0.16    -0.05  -0.29   0.39     0.12  -0.15   0.17
    12   1    -0.03  -0.07   0.22    -0.08   0.06  -0.11    -0.06   0.01  -0.02
    13   1     0.02  -0.02  -0.13    -0.10  -0.06   0.08    -0.03  -0.01   0.04
    14   1     0.02  -0.11  -0.01     0.01   0.07  -0.04    -0.00   0.05   0.02
    15   1     0.24  -0.14  -0.01     0.12  -0.07  -0.01     0.49  -0.23  -0.02
    16   1     0.19   0.08   0.03     0.21   0.16   0.06     0.17   0.11   0.04
    17   1     0.01  -0.06  -0.01     0.01  -0.07  -0.02    -0.05   0.32   0.08
    18   1     0.03   0.02   0.01    -0.39   0.12   0.00    -0.25   0.08   0.00
    19   1    -0.03  -0.04  -0.01    -0.23  -0.19  -0.06    -0.44  -0.36  -0.10
    20   1     0.15  -0.31   0.05    -0.19   0.18  -0.07    -0.05   0.03  -0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1369.3149              1402.6143              1406.7730
 Red. masses --      1.3650                 1.5103                 1.2486
 Frc consts  --      1.5080                 1.7506                 1.4558
 IR Inten    --     10.7845                10.7972                10.8510
 RamAct Fr= 1--      8.3444                 2.4649                 0.7003
  Dep-P Fr= 1--      0.4020                 0.2897                 0.7489
  Dep-U Fr= 1--      0.5735                 0.4492                 0.8564
 Alpha2 Fr= 1--      0.0614                 0.0261                 0.0000
 Beta2  Fr= 1--      0.7976                 0.1845                 0.1000
 AlphaG Fr= 1--      0.0064                 0.0439                 0.0002
 Gamma2 Fr= 1--      1.1798                 0.3374                -0.0040
 Delta2 Fr= 1--     -0.0013                -0.6420                 0.0248
 Raman1 Fr= 1--      33.378                  9.860                  2.801
 ROA1   Fr= 1--     113.221                 11.844                  0.406
 CID1   Fr= 1--       3.392                  1.201                  0.145
 Raman2 Fr= 1--       9.571                  2.214                  1.200
 ROA2   Fr= 1--      28.327                 13.233                 -0.296
 CID2   Fr= 1--       2.960                  5.976                 -0.246
 Raman3 Fr= 1--      19.142                  4.429                  2.399
 ROA3   Fr= 1--     113.221                 11.844                  0.406
 CID3   Fr= 1--       5.915                  2.674                  0.169
 RC180  Fr= 1--       0.147                 -0.102                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02   0.00    -0.06   0.01  -0.00     0.02  -0.00   0.00
     2   6    -0.01  -0.00  -0.00     0.01  -0.00   0.00    -0.01  -0.00  -0.00
     3   6    -0.00  -0.04   0.01     0.04  -0.03  -0.02    -0.02   0.01   0.00
     4   6     0.00   0.00  -0.00     0.01  -0.02  -0.00    -0.00   0.01   0.00
     5   6     0.02   0.02   0.00     0.04   0.04   0.01    -0.01  -0.02  -0.00
     6   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     7   6     0.03   0.09  -0.12    -0.16   0.00   0.03     0.05  -0.01   0.01
     8   7    -0.01   0.01   0.04     0.04   0.02  -0.01    -0.01  -0.01  -0.00
     9   6    -0.02  -0.05  -0.01     0.07   0.02  -0.04     0.04   0.02  -0.13
    10   1    -0.02   0.11  -0.12     0.06  -0.22   0.07    -0.01   0.04   0.02
    11   1     0.07  -0.48   0.72     0.69  -0.09  -0.08    -0.23   0.07  -0.02
    12   1     0.00  -0.00  -0.07    -0.28  -0.03   0.12    -0.18  -0.31   0.42
    13   1     0.01   0.05   0.15    -0.24  -0.07   0.10    -0.27   0.17   0.46
    14   1    -0.06   0.11   0.14     0.04   0.02   0.16    -0.01  -0.06   0.52
    15   1    -0.12   0.05   0.02    -0.17   0.05  -0.01     0.07  -0.02  -0.01
    16   1    -0.09  -0.06  -0.02    -0.20  -0.14  -0.05     0.08   0.05   0.02
    17   1     0.01  -0.08  -0.02     0.02  -0.16  -0.04    -0.01   0.05   0.01
    18   1     0.14  -0.05  -0.00     0.17  -0.08  -0.01    -0.05   0.03   0.01
    19   1     0.10   0.07   0.03     0.09   0.05   0.00     0.00   0.01  -0.00
    20   1     0.07  -0.22   0.03    -0.14   0.14  -0.05     0.06  -0.01   0.03
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1489.4670              1491.9474              1497.0342
 Red. masses --      1.5024                 1.0977                 1.2822
 Frc consts  --      1.9638                 1.4396                 1.6931
 IR Inten    --      4.4660                12.4367                 0.8249
 RamAct Fr= 1--      3.0506                 5.5767                 4.0885
  Dep-P Fr= 1--      0.6404                 0.7026                 0.6335
  Dep-U Fr= 1--      0.7808                 0.8253                 0.7757
 Alpha2 Fr= 1--      0.0060                 0.0046                 0.0086
 Beta2  Fr= 1--      0.3970                 0.7671                 0.5286
 AlphaG Fr= 1--      0.0013                 0.0172                -0.0315
 Gamma2 Fr= 1--      4.8425                -1.5015                -2.5388
 Delta2 Fr= 1--     -1.3274                 1.0270                -0.2977
 Raman1 Fr= 1--      12.203                 22.307                 16.354
 ROA1   Fr= 1--     422.408               -111.276               -253.251
 CID1   Fr= 1--      34.616                 -4.988                -15.486
 Raman2 Fr= 1--       4.764                  9.205                  6.343
 ROA2   Fr= 1--     126.840                -44.251                -58.550
 CID2   Fr= 1--      26.625                 -4.807                 -9.231
 Raman3 Fr= 1--       9.528                 18.410                 12.685
 ROA3   Fr= 1--     422.408               -111.276               -253.251
 CID3   Fr= 1--      44.334                 -6.044                -19.964
 RC180  Fr= 1--       0.562                  0.651                  0.551
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.03   0.01     0.03   0.00   0.00     0.05   0.01   0.01
     2   6    -0.07   0.02   0.00    -0.02   0.01   0.00    -0.03   0.03   0.00
     3   6     0.02  -0.10  -0.02     0.00  -0.03  -0.01     0.01  -0.07  -0.02
     4   6     0.04   0.05   0.01     0.02   0.01   0.00     0.05   0.02   0.01
     5   6    -0.09  -0.01  -0.01    -0.03   0.00  -0.00    -0.05   0.01  -0.00
     6   6     0.02  -0.08  -0.02     0.00  -0.03  -0.01     0.00  -0.06  -0.02
     7   6     0.01   0.02   0.01    -0.02  -0.01   0.00    -0.06   0.03  -0.00
     8   7    -0.01   0.00   0.00     0.00   0.00   0.00     0.01   0.00   0.00
     9   6     0.04   0.00   0.01    -0.01  -0.05  -0.01    -0.03   0.02  -0.01
    10   1    -0.01   0.03   0.02     0.00   0.00  -0.03     0.01  -0.06   0.02
    11   1     0.11  -0.01   0.02     0.11   0.00  -0.07     0.23  -0.05   0.03
    12   1    -0.36   0.26  -0.24    -0.25  -0.16   0.24     0.57  -0.20   0.13
    13   1    -0.24  -0.31  -0.29     0.53   0.28   0.04    -0.04   0.19   0.33
    14   1     0.00  -0.01   0.32    -0.10   0.63  -0.14     0.07  -0.36  -0.34
    15   1    -0.05   0.09   0.02    -0.05   0.04   0.01    -0.11   0.09   0.01
    16   1     0.20   0.21   0.07     0.04   0.06   0.02     0.06   0.10   0.03
    17   1    -0.04   0.39   0.09    -0.02   0.13   0.03    -0.04   0.25   0.06
    18   1    -0.16   0.14   0.02    -0.08   0.05   0.01    -0.16   0.10   0.01
    19   1     0.09   0.15   0.04     0.02   0.04   0.01     0.01   0.06   0.02
    20   1     0.05  -0.04   0.02    -0.05   0.02  -0.01    -0.02   0.02  -0.01
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1532.7745              1629.4700              1647.3311
 Red. masses --      2.2230                 5.2150                 2.7491
 Frc consts  --      3.0772                 8.1582                 4.3954
 IR Inten    --      9.7686                 0.4861                 8.8226
 RamAct Fr= 1--      0.2885                 7.6072                23.6200
  Dep-P Fr= 1--      0.6430                 0.7450                 0.6581
  Dep-U Fr= 1--      0.7827                 0.8539                 0.7938
 Alpha2 Fr= 1--      0.0006                 0.0006                 0.0388
 Beta2  Fr= 1--      0.0376                 1.0826                 3.1249
 AlphaG Fr= 1--      0.0034                 0.0073                 0.0092
 Gamma2 Fr= 1--     -0.0310                -1.2239                 2.9232
 Delta2 Fr= 1--      0.0154                -0.0626                 0.0525
 Raman1 Fr= 1--       1.154                 30.429                 94.480
 ROA1   Fr= 1--      -2.480               -119.497                282.304
 CID1   Fr= 1--      -2.148                 -3.927                  2.988
 Raman2 Fr= 1--       0.452                 12.992                 37.499
 ROA2   Fr= 1--      -0.866                -28.872                 69.735
 CID2   Fr= 1--      -1.917                 -2.222                  1.860
 Raman3 Fr= 1--       0.903                 25.983                 74.998
 ROA3   Fr= 1--      -2.480               -119.497                282.304
 CID3   Fr= 1--      -2.745                 -4.599                  3.764
 RC180  Fr= 1--       0.565                  0.708                  0.588
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.13   0.09   0.01     0.07  -0.18  -0.04    -0.18   0.04  -0.00
     2   6    -0.05  -0.10  -0.03     0.09   0.19   0.05     0.16   0.05   0.02
     3   6     0.14   0.02   0.01     0.03  -0.29  -0.07    -0.13   0.02  -0.00
     4   6    -0.08   0.08   0.02    -0.10   0.16   0.04     0.19  -0.05   0.00
     5   6    -0.10  -0.11  -0.03    -0.06  -0.21  -0.06    -0.15  -0.04  -0.02
     6   6     0.11   0.01   0.01    -0.03   0.33   0.08     0.09  -0.02   0.00
     7   6    -0.04  -0.00  -0.00    -0.02   0.03   0.00     0.01  -0.01  -0.01
     8   7     0.01  -0.00   0.00    -0.02   0.01  -0.01    -0.03   0.03  -0.04
     9   6    -0.01  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    10   1     0.01  -0.02  -0.03    -0.01  -0.06   0.16    -0.01  -0.21   0.51
    11   1    -0.03  -0.01   0.01     0.24  -0.03   0.00     0.01  -0.03  -0.00
    12   1     0.09  -0.04   0.03     0.01   0.00  -0.00    -0.02  -0.00   0.01
    13   1     0.04   0.05   0.06     0.01   0.01   0.01     0.03   0.01  -0.02
    14   1     0.00  -0.01  -0.10     0.00   0.00  -0.02    -0.01   0.03   0.00
    15   1     0.42  -0.11  -0.00     0.27   0.02   0.02    -0.23   0.13   0.02
    16   1     0.40   0.24   0.09     0.27   0.01   0.02     0.10   0.15   0.05
    17   1     0.13   0.02   0.01     0.08  -0.45  -0.11     0.09   0.04   0.02
    18   1     0.47  -0.15  -0.00    -0.19  -0.09  -0.03     0.19  -0.12  -0.02
    19   1     0.38   0.20   0.06    -0.28  -0.07  -0.03    -0.13  -0.18  -0.05
    20   1    -0.05   0.03  -0.02     0.17  -0.05   0.06     0.53  -0.12   0.16
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1655.8729              2942.9079              3028.5797
 Red. masses --      1.3941                 1.0824                 1.0373
 Frc consts  --      2.2521                 5.5233                 5.6058
 IR Inten    --     38.3326                54.7058                34.4198
 RamAct Fr= 1--     11.4395                91.4942               215.9322
  Dep-P Fr= 1--      0.5608                 0.2287                 0.0618
  Dep-U Fr= 1--      0.7186                 0.3723                 0.1163
 Alpha2 Fr= 1--      0.0411                 1.1501                 4.1472
 Beta2  Fr= 1--      1.3700                 5.6770                 4.1867
 AlphaG Fr= 1--      0.0583                 0.9951                -0.0221
 Gamma2 Fr= 1--     -0.9131                 3.6801                 1.1081
 Delta2 Fr= 1--      0.0001                 1.0774                -0.9661
 Raman1 Fr= 1--      45.758                365.977                863.729
 ROA1   Fr= 1--     -87.656                387.761                 75.461
 CID1   Fr= 1--      -1.916                  1.060                  0.087
 Raman2 Fr= 1--      16.440                 68.124                 50.241
 ROA2   Fr= 1--     -21.915                 79.702                 34.323
 CID2   Fr= 1--      -1.333                  1.170                  0.683
 Raman3 Fr= 1--      32.881                136.247                100.482
 ROA3   Fr= 1--     -87.656                387.761                 75.461
 CID3   Fr= 1--      -2.666                  2.846                  0.751
 RC180  Fr= 1--       0.437                 -0.255                 -0.767
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.07  -0.04  -0.01     0.00   0.00  -0.00     0.00  -0.00  -0.00
     3   6     0.06   0.02   0.01     0.00  -0.00  -0.00     0.00   0.00   0.00
     4   6    -0.08   0.01  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     5   6     0.07   0.03   0.01    -0.00   0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.03  -0.01  -0.01     0.00   0.00   0.00    -0.00   0.00   0.00
     7   6    -0.02  -0.02  -0.02    -0.02  -0.07  -0.05    -0.00  -0.00  -0.00
     8   7    -0.04   0.04  -0.05     0.00  -0.00   0.00     0.00   0.00  -0.00
     9   6    -0.00  -0.00   0.01     0.00   0.01   0.00    -0.04  -0.01   0.03
    10   1    -0.01  -0.27   0.63    -0.01  -0.00   0.01    -0.00  -0.00   0.00
    11   1     0.02  -0.06   0.02     0.16   0.82   0.54     0.00   0.01   0.01
    12   1     0.00  -0.01   0.01    -0.01  -0.04  -0.03    -0.09  -0.39  -0.27
    13   1     0.05   0.02  -0.01     0.02  -0.02   0.01    -0.20   0.35  -0.19
    14   1    -0.01   0.03  -0.04    -0.04  -0.00  -0.00     0.74   0.12   0.06
    15   1     0.08  -0.06  -0.01    -0.01  -0.01  -0.01    -0.00  -0.00  -0.00
    16   1    -0.06  -0.06  -0.02    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    17   1    -0.04   0.01  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    18   1    -0.05   0.05   0.01    -0.00   0.00  -0.00     0.00   0.00   0.00
    19   1     0.08   0.08   0.02    -0.00   0.00   0.00    -0.00   0.00   0.00
    20   1     0.63  -0.13   0.19     0.01   0.00  -0.00     0.00  -0.00   0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3092.5548              3113.9039              3156.2114
 Red. masses --      1.0981                 1.1026                 1.0866
 Frc consts  --      6.1877                 6.2992                 6.3775
 IR Inten    --     33.5439                17.8559                 8.1994
 RamAct Fr= 1--     81.3900                36.9081                47.8040
  Dep-P Fr= 1--      0.7474                 0.7179                 0.4782
  Dep-U Fr= 1--      0.8554                 0.8358                 0.6470
 Alpha2 Fr= 1--      0.0036                 0.0205                 0.2604
 Beta2  Fr= 1--     11.6040                 5.1411                 5.1548
 AlphaG Fr= 1--     -0.0008                -0.0542                -0.0919
 Gamma2 Fr= 1--     -1.5568                 0.1603                -0.4657
 Delta2 Fr= 1--      0.6597                -0.1152                 0.4528
 Raman1 Fr= 1--     325.560                147.632                191.216
 ROA1   Fr= 1--    -128.340                 11.699                -30.216
 CID1   Fr= 1--      -0.394                  0.079                 -0.158
 Raman2 Fr= 1--     139.248                 61.693                 61.858
 ROA2   Fr= 1--     -42.641                  4.769                -14.799
 CID2   Fr= 1--      -0.306                  0.077                 -0.239
 Raman3 Fr= 1--     278.496                123.385                123.716
 ROA3   Fr= 1--    -128.340                 11.699                -30.216
 CID3   Fr= 1--      -0.461                  0.095                 -0.244
 RC180  Fr= 1--       0.711                  0.672                  0.294
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.01  -0.00
     2   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     3   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     4   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.03  -0.07  -0.02
     5   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.02   0.03   0.01
     6   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.02   0.00   0.00
     7   6    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00
     8   7     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     9   6    -0.08  -0.01  -0.05     0.02  -0.09  -0.00    -0.00  -0.00  -0.00
    10   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    11   1     0.01   0.03   0.02     0.01   0.05   0.03     0.01   0.01   0.01
    12   1     0.07   0.46   0.32     0.11   0.53   0.38     0.00   0.01   0.01
    13   1     0.20  -0.41   0.22    -0.32   0.58  -0.33    -0.00   0.01  -0.00
    14   1     0.63   0.10   0.04    -0.00  -0.02  -0.00     0.00   0.00  -0.00
    15   1    -0.00  -0.00  -0.00    -0.01  -0.01  -0.00     0.33   0.78   0.22
    16   1    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.25  -0.33  -0.07
    17   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.18  -0.02  -0.02
    18   1     0.00   0.00   0.00     0.00   0.00   0.00     0.05   0.11   0.03
    19   1     0.00  -0.00  -0.00     0.01  -0.01  -0.00     0.02  -0.03  -0.01
    20   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3167.2764              3177.6927              3190.1981
 Red. masses --      1.0865                 1.0909                 1.0944
 Frc consts  --      6.4217                 6.4903                 6.5626
 IR Inten    --      0.4947                22.3618                19.7780
 RamAct Fr= 1--    105.7156                85.6179               141.7776
  Dep-P Fr= 1--      0.6125                 0.7123                 0.1309
  Dep-U Fr= 1--      0.7597                 0.8320                 0.2315
 Alpha2 Fr= 1--      0.2671                 0.0558                 2.2995
 Beta2  Fr= 1--     13.3851                11.8721                 5.4713
 AlphaG Fr= 1--     -0.0506                -0.0203                -0.2011
 Gamma2 Fr= 1--      0.2238                -0.6877                 0.7690
 Delta2 Fr= 1--      0.1009                -0.3438                -2.9079
 Raman1 Fr= 1--     422.862                342.471                567.110
 ROA1   Fr= 1--      24.716                -77.019                -19.227
 CID1   Fr= 1--       0.058                 -0.225                 -0.034
 Raman2 Fr= 1--     160.621                142.465                 65.655
 ROA2   Fr= 1--       4.564                -13.755                 41.720
 CID2   Fr= 1--       0.028                 -0.097                  0.635
 Raman3 Fr= 1--     321.242                284.930                131.311
 ROA3   Fr= 1--      24.716                -77.019                -19.227
 CID3   Fr= 1--       0.077                 -0.270                 -0.146
 RC180  Fr= 1--       0.519                  0.664                 -0.537
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.05  -0.01    -0.02  -0.04  -0.01    -0.00  -0.01  -0.00
     2   6    -0.01   0.01   0.00    -0.01   0.02   0.00    -0.02   0.03   0.01
     3   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     4   6     0.01   0.03   0.01    -0.01  -0.02  -0.01     0.01   0.01   0.00
     5   6    -0.01   0.01   0.00     0.04  -0.04  -0.01    -0.03   0.04   0.01
     6   6     0.05   0.01   0.00    -0.03  -0.00  -0.00    -0.06  -0.01  -0.01
     7   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     8   7    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    10   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    11   1    -0.00  -0.01  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    12   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   1     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    14   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    15   1    -0.12  -0.29  -0.08     0.11   0.26   0.08    -0.07  -0.15  -0.04
    16   1     0.12  -0.16  -0.03    -0.40   0.51   0.10     0.33  -0.43  -0.09
    17   1    -0.56  -0.07  -0.05     0.34   0.04   0.03     0.65   0.08   0.06
    18   1     0.26   0.62   0.17     0.20   0.48   0.13     0.06   0.15   0.04
    19   1     0.13  -0.16  -0.03     0.14  -0.19  -0.03     0.27  -0.35  -0.06
    20   1     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
                     52                     53                     54
                      A                      A                      A
 Frequencies --   3197.6487              3485.0365              3565.4792
 Red. masses --      1.0945                 1.0486                 1.0939
 Frc consts  --      6.5934                 7.5033                 8.1933
 IR Inten    --      7.3014                 0.3154                 0.3838
 RamAct Fr= 1--    216.4948               160.2066                77.8739
  Dep-P Fr= 1--      0.0964                 0.1035                 0.7007
  Dep-U Fr= 1--      0.1759                 0.1875                 0.8240
 Alpha2 Fr= 1--      3.8236                 2.7813                 0.0669
 Beta2  Fr= 1--      6.3478                 5.0066                10.6947
 AlphaG Fr= 1--      0.0707                -0.9991                 0.1198
 Gamma2 Fr= 1--     -0.7194                -1.5529                -4.5424
 Delta2 Fr= 1--      2.2188                -0.1849                -1.2907
 Raman1 Fr= 1--     865.979                640.826                311.495
 ROA1   Fr= 1--       1.938               -154.997               -477.378
 CID1   Fr= 1--       0.002                 -0.242                 -1.533
 Raman2 Fr= 1--      76.174                 60.079                128.336
 ROA2   Fr= 1--     -35.016                -35.790                -98.693
 CID2   Fr= 1--      -0.460                 -0.596                 -0.769
 Raman3 Fr= 1--     152.347                120.158                256.672
 ROA3   Fr= 1--       1.938               -154.997               -477.378
 CID3   Fr= 1--       0.013                 -1.290                 -1.860
 RC180  Fr= 1--      -0.648                 -0.625                  0.648
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.03  -0.01     0.00  -0.00  -0.00     0.00   0.00  -0.00
     2   6     0.05  -0.06  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
     3   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     4   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     5   6    -0.01   0.01   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6    -0.03  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     7   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     8   7     0.00   0.00   0.00    -0.03   0.01  -0.05    -0.07  -0.01   0.04
     9   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    10   1     0.00   0.00  -0.00     0.68   0.07   0.00     0.72   0.09   0.04
    11   1    -0.00  -0.00  -0.00     0.00   0.01   0.01     0.00  -0.00  -0.00
    12   1     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    13   1    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    14   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    15   1    -0.02  -0.04  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
    16   1     0.11  -0.14  -0.03    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    17   1     0.29   0.03   0.03     0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   1     0.16   0.38   0.10    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    19   1    -0.51   0.65   0.12    -0.00  -0.00   0.00     0.00  -0.00   0.00
    20   1    -0.00  -0.00  -0.00    -0.27  -0.12   0.66     0.23   0.10  -0.64

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  7 and mass  14.00307
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Molecular mass:   121.08915 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   523.996361619.923491832.00536
           X            0.99997   0.00657  -0.00461
           Y           -0.00655   0.99997   0.00434
           Z            0.00464  -0.00431   0.99998
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.16529     0.05347     0.04728
 Rotational constants (GHZ):           3.44419     1.11409     0.98512
 Zero-point vibrational energy     456063.0 (Joules/Mol)
                                  109.00167 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     63.11   183.67   309.66   369.29   407.86
          (Kelvin)            444.74   530.20   599.60   696.20   790.42
                              863.76   918.41  1031.15  1106.38  1121.81
                             1212.85  1243.55  1326.50  1343.83  1393.73
                             1424.63  1446.37  1475.72  1516.14  1535.27
                             1592.51  1630.24  1703.09  1724.95  1735.10
                             1810.22  1918.60  1949.71  1970.14  2018.05
                             2024.03  2143.01  2146.58  2153.90  2205.32
                             2344.44  2370.14  2382.43  4234.19  4357.45
                             4449.50  4480.21  4541.08  4557.00  4571.99
                             4589.98  4600.70  5014.19  5129.93
 
 Zero-point correction=                           0.173705 (Hartree/Particle)
 Thermal correction to Energy=                    0.182186
 Thermal correction to Enthalpy=                  0.183130
 Thermal correction to Gibbs Free Energy=         0.140315
 Sum of electronic and zero-point Energies=           -366.228140
 Sum of electronic and thermal Energies=              -366.219660
 Sum of electronic and thermal Enthalpies=            -366.218715
 Sum of electronic and thermal Free Energies=         -366.261530
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  114.323             32.909             90.110
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.288
 Rotational               0.889              2.981             28.832
 Vibrational            112.546             26.948             20.990
 Vibration     1          0.595              1.980              5.076
 Vibration     2          0.611              1.926              2.981
 Vibration     3          0.645              1.818              1.999
 Vibration     4          0.666              1.752              1.684
 Vibration     5          0.682              1.704              1.513
 Vibration     6          0.698              1.656              1.367
 Vibration     7          0.741              1.537              1.086
 Vibration     8          0.780              1.434              0.903
 Vibration     9          0.840              1.286              0.700
 Vibration    10          0.905              1.141              0.545
 Vibration    11          0.958              1.031              0.449
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.288034D-64        -64.540556       -148.610122
 Total V=0       0.228153D+16         15.358226         35.363623
 Vib (Bot)       0.123200D-77        -77.909388       -179.392995
 Vib (Bot)    1  0.471538D+01          0.673517          1.550829
 Vib (Bot)    2  0.159791D+01          0.203552          0.468696
 Vib (Bot)    3  0.920866D+00         -0.035803         -0.082441
 Vib (Bot)    4  0.757967D+00         -0.120350         -0.277115
 Vib (Bot)    5  0.676970D+00         -0.169430         -0.390128
 Vib (Bot)    6  0.612048D+00         -0.213215         -0.490945
 Vib (Bot)    7  0.494552D+00         -0.305788         -0.704103
 Vib (Bot)    8  0.422387D+00         -0.374289         -0.861833
 Vib (Bot)    9  0.344483D+00         -0.462832         -1.065710
 Vib (Bot)   10  0.285832D+00         -0.543890         -1.252353
 Vib (Bot)   11  0.248634D+00         -0.604439         -1.391773
 Vib (V=0)       0.975875D+02          1.989394          4.580749
 Vib (V=0)    1  0.524181D+01          0.719482          1.656668
 Vib (V=0)    2  0.217431D+01          0.337322          0.776712
 Vib (V=0)    3  0.154785D+01          0.189730          0.436868
 Vib (V=0)    4  0.140803D+01          0.148611          0.342190
 Vib (V=0)    5  0.134160D+01          0.127623          0.293862
 Vib (V=0)    6  0.129032D+01          0.110697          0.254889
 Vib (V=0)    7  0.120326D+01          0.080361          0.185039
 Vib (V=0)    8  0.115453D+01          0.062406          0.143694
 Vib (V=0)    9  0.110718D+01          0.044219          0.101817
 Vib (V=0)   10  0.107593D+01          0.031786          0.073189
 Vib (V=0)   11  0.105841D+01          0.024653          0.056765
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.523735D+08          7.719112         17.773912
 Rotational      0.446396D+06          5.649720         13.008962
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3  3       3333333  3  2                                           111 1111 11111 1111111111                                    
     5  4       1111110  0  9                                           666 5444 44333 2211110000999988 77 7  66 5 4  43 322 2  1    
     6  8       9976519  2  4                                           542 3998 00653 5098306520963264 86 1  30 4 8  16 085 1  2  4 
     5  5       8087643  9  3                                           679 3729 73953 8694377465094243 09 7  80 9 4  79 937 5  8  4 
 
     X  X       XXXXXXX  X  X                                           XXX XXXX XXXXX XXXXXXXX XX XXXX XX X  XX X X  XX XXX X  X  X 
                XXX XXX  X  X                                           XX  X X  XXX       X X        X XX X   X X     X  XX         
                 XX  XX  X  X                                           X     X            X          X X  X   X X        XX         
                 XX  XX  X  X                                           X                             X X  X              X          
                  X   X  X  X                                           X                             X X  X              X          
                      X  X  X                                           X                             X X  X                         
                      X  X  X                                           X                             X    X                         
                            X                                           X                             X    X                         
                            X                                                                         X    X                         
                            X                                                                         X                              
                            X                                                                         X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000007657   -0.000003940    0.000001122
      2        6          -0.000005405   -0.000005277   -0.000002029
      3        6          -0.000000871    0.000012383   -0.000002427
      4        6           0.000008339   -0.000003972    0.000000687
      5        6          -0.000005820   -0.000003822   -0.000000495
      6        6          -0.000000253    0.000007211    0.000000302
      7        6          -0.000002957   -0.000007290    0.000007643
      8        7          -0.000001588    0.000000105   -0.000000073
      9        6           0.000003986    0.000008426   -0.000012746
     10        1           0.000000282   -0.000001552   -0.000000180
     11        1          -0.000001722    0.000000341   -0.000002301
     12        1          -0.000002370   -0.000001661    0.000003548
     13        1          -0.000000349   -0.000000518   -0.000000156
     14        1          -0.000001946    0.000000020    0.000002611
     15        1          -0.000000646    0.000000631    0.000000044
     16        1           0.000000004    0.000000175    0.000000843
     17        1          -0.000000034   -0.000000195    0.000000685
     18        1          -0.000000475    0.000000588   -0.000000512
     19        1           0.000001453    0.000000154    0.000000918
     20        1           0.000002716   -0.000001807    0.000002516
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000012746 RMS     0.000003918
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.132042D+03  0.253159D+00  0.118362D+01
      2   0.253159D+00  0.106230D+03  0.582821D+01
      3   0.118362D+01  0.582821D+01  0.766105D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.152886D+01  0.213139D+01  0.919854D+00
      2   0.375865D+01  0.140955D+02 -0.128050D+02
      3  -0.361290D+01 -0.309365D+02 -0.131617D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.663851D+02  0.481405D+01  0.326562D+01
      2  -0.179866D+02 -0.641269D+01 -0.786015D+01
      3  -0.483984D+02  0.159864D+01  0.459453D+01
      4  -0.608150D+01  0.614956D+02  0.346412D+02
      5   0.197029D+02  0.357719D+02 -0.337353D+02
      6   0.147246D+02  0.506652D+01 -0.394009D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.358498D+01 -0.475423D+00 -0.982897D-01  0.457352D+01  0.269146D-01
      2  -0.475423D+00  0.188403D+01 -0.361947D+00  0.269146D-01  0.918068D+00
      3  -0.982897D-01 -0.361947D+00  0.745319D+00 -0.443532D+00 -0.111720D+01
                 6             7             8             9            10 
      1  -0.443532D+00  0.639670D+00 -0.827868D+00  0.177466D+01  0.337518D+01
      2  -0.111720D+01 -0.827868D+00 -0.143944D+01  0.311249D+01 -0.596896D+00
      3   0.150535D+01  0.177466D+01  0.311249D+01  0.267287D+01  0.703148D-01
                11            12            13            14            15 
      1  -0.596896D+00  0.703148D-01  0.761083D+01  0.477508D-01  0.145708D+00
      2  -0.289639D+01 -0.529448D+00  0.477508D-01  0.170187D+01 -0.763398D+00
      3  -0.529448D+00 -0.164139D+01  0.145708D+00 -0.763398D+00  0.166497D+01
                16            17            18            19            20 
      1   0.252386D+01  0.157654D-01 -0.172680D+01 -0.161031D+02 -0.204694D+01
      2   0.157654D-01 -0.159605D+01  0.290239D+01 -0.204694D+01 -0.240805D+01
      3  -0.172680D+01  0.290239D+01  0.119022D+01  0.438404D+00  0.115002D+00
                21            22            23            24            25 
      1   0.438404D+00 -0.288608D+01  0.106263D+01  0.142071D+01 -0.957423D+00
      2   0.115002D+00  0.106263D+01 -0.360252D+00 -0.381416D+00  0.130994D+01
      3  -0.194407D+01  0.142071D+01 -0.381416D+00 -0.122401D+00 -0.376865D+01
                26            27            28            29            30 
      1   0.130994D+01 -0.376865D+01  0.470125D+01  0.228675D+01  0.587380D+00
      2  -0.579037D+00 -0.535274D+00  0.228675D+01 -0.197790D+01 -0.152372D+00
      3  -0.535274D+00 -0.548217D+00  0.587380D+00 -0.152372D+00 -0.928927D+00
                31            32            33            34            35 
      1  -0.643445D+01 -0.488401D+00  0.308164D+00 -0.683163D+00  0.940846D+00
      2  -0.488401D+00 -0.164405D+01  0.122439D+01  0.940846D+00  0.134302D+01
      3   0.308164D+00  0.122439D+01 -0.148548D+01 -0.676071D+00 -0.306282D+01
                36            37            38            39            40 
      1  -0.676071D+00 -0.218925D+01 -0.603949D+00 -0.305152D+00 -0.486342D+01
      2  -0.306282D+01 -0.603949D+00  0.217483D+01  0.696039D+00 -0.872511D+00
      3  -0.303460D+01 -0.305152D+00  0.696039D+00  0.169962D+01 -0.100879D+01
                41            42            43            44            45 
      1  -0.872511D+00 -0.100879D+01 -0.151322D+01 -0.772534D+00  0.266051D+01
      2  -0.893865D+00  0.124250D+01 -0.772534D+00  0.176996D+01 -0.269368D+01
      3   0.124250D+01 -0.145428D+01  0.266051D+01 -0.269368D+01 -0.129030D+01
                46            47            48            49            50 
      1   0.491126D+01  0.300260D+00 -0.503854D+00  0.783395D+00 -0.103006D+00
      2   0.300260D+00  0.312040D+01  0.153480D+00 -0.103006D+00  0.248096D+00
      3  -0.503854D+00  0.153480D+00  0.251627D+01 -0.129532D+01 -0.573826D+00
                51            52            53            54            55 
      1  -0.129532D+01 -0.573764D-01 -0.132659D+01  0.498602D+01  0.312582D+01
      2  -0.573826D+00 -0.132659D+01  0.251191D-01  0.423609D+00  0.481668D+00
      3   0.297263D-01  0.498602D+01  0.423609D+00  0.746923D+00 -0.125707D+01
                56            57            58            59            60 
      1   0.481668D+00 -0.125707D+01  0.334126D+00  0.234824D+01 -0.205153D+01
      2   0.109470D+01 -0.102872D+01  0.234824D+01  0.482725D+01  0.364814D+01
      3  -0.102872D+01  0.234868D+01 -0.205153D+01  0.364814D+01  0.115690D+01
                61            62            63            64            65 
      1  -0.513447D+01 -0.179567D+01  0.477221D+01  0.662236D+01  0.128639D+01
      2  -0.179567D+01  0.317779D+01  0.259632D+01  0.128639D+01 -0.818326D+00
      3   0.477221D+01  0.259632D+01 -0.197089D+01  0.116977D+01  0.578743D+00
                66            67            68            69            70 
      1   0.116977D+01  0.351932D+01 -0.196326D+01  0.146438D+01  0.161325D+01
      2   0.578743D+00 -0.196326D+01  0.134465D+01 -0.184264D+01  0.335474D+00
      3  -0.186472D+01  0.146438D+01 -0.184264D+01 -0.208915D+00 -0.169504D+01
                71            72            73            74            75 
      1   0.335474D+00 -0.169504D+01  0.902108D+01  0.199582D+01  0.587664D-01
      2  -0.206817D+00 -0.111512D+01  0.199582D+01 -0.199366D+01  0.114130D+01
      3  -0.111512D+01  0.484506D+01  0.587664D-01  0.114130D+01 -0.277684D+01
                76            77            78            79            80 
      1   0.163016D+01 -0.187260D+01  0.140312D+01  0.529120D+01  0.178991D+01
      2  -0.187260D+01  0.355393D+00 -0.416380D+01  0.178991D+01 -0.298590D+01
      3   0.140312D+01 -0.416380D+01 -0.114216D+01 -0.418393D+01 -0.172665D+01
                81            82            83            84            85 
      1  -0.418393D+01 -0.119945D+02  0.883466D+00 -0.218121D+01 -0.329199D+00
      2  -0.172665D+01  0.883466D+00 -0.835315D+00  0.443180D+00 -0.552649D+00
      3   0.157869D+01 -0.218121D+01  0.443180D+00 -0.151305D+01  0.155109D-01
                86            87            88            89            90 
      1  -0.552649D+00  0.155109D-01 -0.592201D+00  0.223955D+00 -0.103636D+01
      2   0.458093D+00  0.120593D+00  0.223955D+00  0.333206D+00  0.222192D+00
      3   0.120593D+00 -0.363697D-01 -0.103636D+01  0.222192D+00 -0.626393D+00
                91            92            93            94            95 
      1   0.965281D-02 -0.143658D+01 -0.637100D+00 -0.254786D+01 -0.146065D+01
      2  -0.143658D+01 -0.114912D+01 -0.293806D+00 -0.146065D+01 -0.657287D+01
      3  -0.637100D+00 -0.293806D+00 -0.878888D+00 -0.467159D+00 -0.220876D+01
                96            97            98            99           100 
      1  -0.467159D+00 -0.631007D+00 -0.306379D+00 -0.125483D+01 -0.575959D+00
      2  -0.220876D+01 -0.306379D+00 -0.271958D+01 -0.217977D+01  0.587688D+00
      3  -0.219851D+01 -0.125483D+01 -0.217977D+01 -0.210395D+01  0.508226D+00
               101           102           103           104           105 
      1   0.587688D+00  0.508226D+00  0.162801D+01  0.488657D-02 -0.731895D+00
      2   0.403641D+00 -0.253693D-01  0.488657D-02  0.321022D+01  0.226501D+01
      3  -0.253693D-01  0.760652D+00 -0.731895D+00  0.226501D+01  0.318370D+01
               106           107           108           109           110 
      1   0.686794D+00 -0.292753D+00 -0.660014D-01  0.327237D+00 -0.112551D+01
      2  -0.292753D+00  0.190655D+01  0.173474D+01 -0.112551D+01  0.138218D+01
      3  -0.660014D-01  0.173474D+01  0.360292D+01  0.564928D+00 -0.894231D+00
               111           112           113           114           115 
      1   0.564928D+00 -0.164035D+01  0.543399D+00 -0.180154D+00  0.220193D+00
      2  -0.894231D+00  0.543399D+00 -0.463189D+01  0.281452D+01 -0.333527D+00
      3   0.154179D+01 -0.180154D+00  0.281452D+01 -0.250498D+01  0.570850D+00
               116           117           118           119           120 
      1  -0.333527D+00  0.570850D+00 -0.136288D+02 -0.208346D+01  0.170177D+01
      2   0.202072D+01 -0.180528D+01 -0.208346D+01 -0.121184D+01  0.330470D+00
      3  -0.180528D+01  0.263683D+01  0.170177D+01  0.330470D+00 -0.155065D+01
               121           122           123           124           125 
      1  -0.189823D+01 -0.160609D+01  0.158772D+00 -0.787041D+00 -0.194456D+00
      2  -0.160609D+01 -0.862602D+00  0.636999D+00 -0.194456D+00  0.119051D+00
      3   0.158772D+00  0.636999D+00 -0.201434D+00 -0.944357D+00 -0.727225D-01
               126           127           128           129           130 
      1  -0.944357D+00 -0.170581D+01 -0.173572D+01 -0.542123D+00 -0.149612D+01
      2  -0.727225D-01 -0.173572D+01 -0.201904D+01 -0.593461D+00 -0.197574D+01
      3  -0.612212D-01 -0.542123D+00 -0.593461D+00 -0.445439D+00 -0.535498D+00
               131           132           133           134           135 
      1  -0.197574D+01 -0.535498D+00 -0.652857D+00 -0.735593D+00 -0.164544D+00
      2  -0.799979D+01 -0.205236D+01 -0.735593D+00 -0.225833D+01 -0.750206D+00
      3  -0.205236D+01 -0.143025D+01 -0.164544D+00 -0.750206D+00 -0.514357D+00
               136           137           138           139           140 
      1   0.493359D+01 -0.381359D+01 -0.736800D+00 -0.365986D+01  0.435067D+01
      2  -0.381359D+01  0.347027D+01  0.533113D+00  0.435067D+01 -0.650151D+01
      3  -0.736800D+00  0.533113D+00  0.701614D+00  0.942737D+00 -0.118837D+01
               141           142           143           144           145 
      1   0.942737D+00 -0.757502D+00  0.852235D+00  0.316968D+00  0.134518D+02
      2  -0.118837D+01  0.852235D+00 -0.145412D+01 -0.468840D+00  0.121813D+01
      3  -0.105696D+01  0.316968D+00 -0.468840D+00 -0.291905D+00  0.999182D+00
               146           147           148           149           150 
      1   0.121813D+01  0.999182D+00  0.107278D+01  0.165939D+01  0.455866D+00
      2   0.906231D+00  0.362628D-01  0.165939D+01  0.457414D+00  0.152929D+00
      3   0.362628D-01  0.108310D+01  0.455866D+00  0.152929D+00  0.158990D+00
               151           152           153           154           155 
      1   0.101315D+01  0.441498D+00  0.255521D+00  0.235168D+01  0.264018D+01
      2   0.441498D+00  0.117005D+00  0.421428D-01  0.264018D+01  0.276496D+01
      3   0.255521D+00  0.421428D-01  0.154099D+00  0.756652D+00  0.715200D+00
               156           157           158           159           160 
      1   0.756652D+00  0.230441D+01  0.370485D+01  0.953021D+00  0.760549D+00
      2   0.715200D+00  0.370485D+01  0.912251D+01  0.213415D+01  0.110492D+01
      3   0.575023D+00  0.953021D+00  0.213415D+01  0.146604D+01  0.371979D+00
               161           162           163           164           165 
      1   0.110492D+01  0.371979D+00 -0.357362D+01  0.217465D+01  0.195190D+00
      2   0.239045D+01  0.776819D+00  0.217465D+01 -0.244351D+01 -0.250209D+00
      3   0.776819D+00  0.524337D+00  0.195190D+00 -0.250209D+00 -0.513080D+00
               166           167           168           169           170 
      1   0.238190D+01 -0.268122D+01 -0.482898D+00  0.283730D+00 -0.507676D+00
      2  -0.268122D+01  0.561224D+01  0.865724D+00 -0.507676D+00  0.119932D+01
      3  -0.482898D+00  0.865724D+00  0.930175D+00 -0.118184D+00  0.331956D+00
               171           172           173           174           175 
      1  -0.118184D+00  0.525107D+00  0.630633D-01 -0.788983D+00 -0.828944D-01
      2   0.331956D+00  0.630633D-01  0.551931D+00 -0.613223D+00 -0.172609D+00
      3   0.274915D+00 -0.788983D+00 -0.613223D+00  0.208500D+01 -0.712100D-01
               176           177           178           179           180 
      1  -0.172609D+00 -0.712100D-01 -0.126614D+01  0.785051D-01 -0.739563D-01
      2   0.121102D+01 -0.813179D+00  0.785051D-01 -0.116292D+01  0.226772D+01
      3  -0.813179D+00  0.174588D+01 -0.739563D-01  0.226772D+01 -0.778504D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.496307D-01  0.104073D+01 -0.186315D+01  0.143570D+01  0.852482D-02
      2  -0.679000D+00  0.268101D+01  0.116706D+01  0.124176D+01 -0.308234D+01
      3   0.169411D+01 -0.121209D+02 -0.236519D+01  0.388321D+01 -0.103316D+01
                 6             7             8             9            10 
      1  -0.237905D+01 -0.451047D+01  0.925510D+00 -0.112617D+01 -0.270881D+00
      2   0.371845D+01 -0.769350D+01  0.741807D+01  0.504960D+01  0.151630D+01
      3   0.197622D+01 -0.271437D+00  0.382088D+01 -0.403872D+01  0.147497D+01
                11            12            13            14            15 
      1   0.321863D-01  0.238905D+01 -0.679435D+00 -0.137388D+00 -0.253692D+01
      2   0.628161D+00 -0.137697D+01  0.389491D+01  0.417579D+00  0.124406D+01
      3  -0.358171D+00  0.709807D+00  0.341740D+01 -0.588281D+01  0.119058D+01
                16            17            18            19            20 
      1   0.627412D+01  0.364858D+01  0.598168D+00 -0.948006D+00 -0.276276D+00
      2  -0.120257D+02  0.437742D+00 -0.188830D+00 -0.371377D+01 -0.121246D+01
      3  -0.106746D+01 -0.464507D+00 -0.563458D+01  0.351957D+00  0.709911D+01
                21            22            23            24            25 
      1   0.107074D+00 -0.127268D+01 -0.340536D+01  0.106262D+01 -0.353209D+00
      2  -0.186517D+01 -0.122210D+01  0.888224D+00  0.473966D-01 -0.138498D+02
      3   0.737011D+00  0.157070D+02  0.163892D+01 -0.197110D+01 -0.124803D+00
                26            27            28            29            30 
      1   0.863825D+01  0.222320D+01  0.141467D+00  0.129903D+01 -0.160467D+01
      2   0.151910D+00  0.405476D+00  0.380016D+01  0.202520D+01 -0.494721D+00
      3   0.768112D-01  0.455137D+00 -0.565692D+01 -0.422555D+01 -0.242247D+01
                31            32            33            34            35 
      1   0.104701D+01  0.729617D+00 -0.255581D+01 -0.467178D+01  0.170675D+01
      2   0.177725D+01 -0.431139D+00 -0.134688D+01 -0.132464D+02 -0.114982D+01
      3   0.389669D+01  0.570871D+01 -0.193651D+00 -0.286764D+01 -0.197487D+01
                36            37            38            39            40 
      1  -0.577112D+00 -0.498903D+00 -0.767700D+00  0.238065D+01 -0.153571D+01
      2  -0.348727D+01 -0.116054D+01  0.170350D+01  0.283242D+01 -0.128727D+01
      3   0.464361D+01  0.366550D+01 -0.958908D+01 -0.182732D+01  0.733231D+01
                41            42            43            44            45 
      1  -0.301784D+00 -0.169115D+01  0.616205D+01  0.336397D+01  0.131457D+01
      2   0.322204D+01 -0.452535D+01 -0.368324D+01 -0.888722D+01 -0.353942D+01
      3   0.179443D+01 -0.202001D+01  0.392157D+00 -0.284902D+01  0.379903D+01
                46            47            48            49            50 
      1   0.299981D+00 -0.561435D+00 -0.807097D+00 -0.702219D+00 -0.278006D+01
      2   0.244660D+00 -0.314001D+00  0.669913D+01 -0.473251D+01  0.101733D+00
      3  -0.199719D+01 -0.647649D+01  0.114674D+00  0.103669D+02 -0.181008D+01
                51            52            53            54            55 
      1   0.109308D+01 -0.202746D+01  0.105276D+02  0.285428D+01 -0.734259D+00
      2   0.900596D+00  0.641600D+01  0.224279D+01  0.153490D+01  0.318475D+01
      3   0.918861D+00  0.399599D+01  0.836734D-01 -0.483506D+00 -0.632065D+00
                56            57            58            59            60 
      1  -0.905491D+00 -0.819120D+00  0.236345D+01  0.304625D+01  0.305641D+00
      2   0.129105D+01 -0.216014D+01  0.234912D+01 -0.761670D+01 -0.236919D+01
      3  -0.539943D+00  0.429084D+00  0.956943D+01  0.659027D+01  0.821189D+01
                61            62            63            64            65 
      1   0.280601D+01  0.411163D+01 -0.191526D+01 -0.221564D+01  0.226623D+01
      2  -0.157532D+02 -0.631174D+01  0.336960D+01  0.241675D+01 -0.117336D+01
      3   0.176632D+00  0.115660D+02  0.348002D+01  0.155171D+02 -0.740476D+01
                66            67            68            69            70 
      1   0.259080D+01  0.465265D-01 -0.238983D+01 -0.238816D+01 -0.648319D+00
      2   0.944160D+01  0.191338D+00  0.249831D+01  0.123560D+01  0.787404D+00
      3   0.427338D+01  0.203459D+01  0.424170D+01 -0.398290D+01  0.228134D+01
                71            72            73            74            75 
      1   0.653732D+01 -0.697013D+01  0.344072D+01 -0.322127D+01 -0.442968D+00
      2   0.438450D+01 -0.132916D+02 -0.132241D+02 -0.565569D+01  0.106888D+02
      3  -0.156811D+01 -0.468892D+01  0.286994D+00 -0.999446D+01  0.206932D+01
                76            77            78            79            80 
      1  -0.289430D+00 -0.127076D+01 -0.113093D+02 -0.123239D+01 -0.560599D+01
      2  -0.541161D+01  0.136332D+02  0.162710D+01  0.713372D+01  0.307162D+01
      3  -0.282637D+01  0.261734D+01 -0.141845D+02  0.901832D+00 -0.125583D+02
                81            82            83            84            85 
      1  -0.681519D+00  0.175878D+01  0.821739D+00  0.997199D+00 -0.734775D-01
      2   0.736080D+00 -0.466106D+01 -0.333361D+00  0.435583D+01 -0.777637D+00
      3  -0.154592D+01 -0.105342D+02 -0.418850D+01 -0.123526D+01 -0.142164D+01
                86            87            88            89            90 
      1  -0.292609D+00 -0.631002D+00  0.112309D+00  0.952166D-01  0.167198D+00
      2  -0.722293D+00  0.758891D+00  0.895918D+00 -0.126744D-01  0.914185D+00
      3   0.729275D+00  0.857432D+00 -0.355450D+00  0.714172D+00 -0.274353D+00
                91            92            93            94            95 
      1  -0.514516D+00 -0.655960D-01 -0.676589D+00 -0.844270D+00  0.386850D+00
      2   0.127490D+01  0.113759D+00  0.228497D+01 -0.638204D+00  0.420778D+01
      3  -0.377290D+01 -0.212697D+01 -0.192275D+00  0.289759D+01 -0.126581D+02
                96            97            98            99           100 
      1  -0.405670D+01 -0.875319D+00  0.258135D+00 -0.196979D+01  0.160046D+01
      2   0.403321D+01  0.293297D+00  0.339778D+01  0.356353D+01 -0.165609D+01
      3  -0.431742D+01  0.979718D+00 -0.566303D+01 -0.344780D+01  0.237239D+01
               101           102           103           104           105 
      1   0.141748D+01  0.275286D+00  0.518182D+00  0.781791D+01  0.364342D+01
      2  -0.975935D+00 -0.191603D+01 -0.169442D+01 -0.666773D+01 -0.741340D+01
      3   0.109401D+01 -0.637128D-01  0.202336D+01  0.915263D+01  0.653687D+01
               106           107           108           109           110 
      1  -0.249289D+00  0.588816D+01  0.452532D+01 -0.169142D+01  0.228668D+01
      2  -0.251338D+01 -0.436969D+01 -0.853314D+01 -0.339015D+01  0.340420D+01
      3  -0.392454D+00  0.536466D+01  0.481213D+01 -0.462220D+01  0.422017D+01
               111           112           113           114           115 
      1   0.549529D+00  0.134398D+01 -0.524002D+01  0.426855D+00  0.299944D+00
      2  -0.337064D+01  0.368484D+01 -0.824574D+01  0.618440D+01 -0.351565D+01
      3  -0.227978D+01  0.546115D+01 -0.118364D+02  0.726954D+01 -0.128029D+01
               116           117           118           119           120 
      1   0.332085D+01 -0.157641D+00 -0.126044D+01 -0.185950D+01 -0.130025D+01
      2   0.497837D+01 -0.672722D+01  0.109216D+02  0.135660D+01  0.597776D+01
      3   0.527272D+01 -0.519541D+01  0.353070D+01 -0.530523D+01  0.459123D-01
               121           122           123           124           125 
      1  -0.179543D+01 -0.490689D+00 -0.114384D+00 -0.905291D+00  0.107560D+01
      2   0.185680D+01 -0.272427D+00  0.834123D+00  0.152140D+01  0.269497D-01
      3  -0.194130D+01 -0.159927D+01  0.176638D+01 -0.119765D+00  0.131070D+01
               126           127           128           129           130 
      1  -0.291534D+00  0.109326D+00  0.303563D+00 -0.154961D+01  0.134063D+00
      2   0.116600D+01 -0.184451D+01 -0.123758D+01 -0.119133D+00 -0.164547D+01
      3   0.731801D+00  0.657086D+01  0.371827D+01  0.133792D+01  0.661478D+01
               131           132           133           134           135 
      1   0.814285D+00 -0.392392D+01  0.564222D+00  0.226298D+01 -0.665580D+00
      2  -0.235441D+01 -0.170592D+00 -0.206480D+01 -0.878099D+00 -0.114572D+00
      3   0.850655D+01  0.255067D+01  0.234537D+01  0.255451D+01  0.608155D+00
               136           137           138           139           140 
      1   0.192880D+00 -0.696237D+00  0.218555D+01  0.264249D+00  0.310690D+00
      2  -0.134630D-01 -0.275771D-01  0.282540D+01  0.966583D+00 -0.167446D+01
      3   0.157981D+01 -0.461443D+01 -0.236456D+00 -0.349448D+01  0.108520D+02
               141           142           143           144           145 
      1  -0.327783D+01 -0.832587D+00  0.140556D+01 -0.333833D+00 -0.124876D+00
      2  -0.365070D+01 -0.608828D+00  0.113419D+00 -0.510423D+00  0.131966D+01
      3   0.157836D+01 -0.109204D+01  0.267668D+01  0.567008D+00 -0.553362D+00
               146           147           148           149           150 
      1   0.371278D+00 -0.590214D+00 -0.110148D-01 -0.282884D-01 -0.387296D+00
      2  -0.111103D+00  0.634097D+01  0.177533D+01  0.396075D+00  0.905557D+00
      3  -0.530905D+01  0.184978D+00 -0.381419D+01 -0.122667D+01 -0.385623D+00
               151           152           153           154           155 
      1   0.395647D+00  0.635488D+00  0.275564D-01 -0.221454D+00  0.100062D+00
      2  -0.227236D+01 -0.873770D-01  0.399038D+00  0.319539D+00  0.526131D+00
      3  -0.152125D+01 -0.805225D+00 -0.128947D+00 -0.750626D+00 -0.226861D+01
               156           157           158           159           160 
      1  -0.167351D+01 -0.238449D+00  0.515215D+00 -0.429946D+01  0.570951D+00
      2   0.163881D+01  0.579379D+00  0.303596D+01  0.357001D+01 -0.425671D+00
      3  -0.370947D+00 -0.137063D+01 -0.132183D+02 -0.277954D+01 -0.537806D+00
               161           162           163           164           165 
      1   0.187145D+01 -0.748725D+00  0.499455D+00 -0.103921D+01  0.223238D+01
      2   0.383185D+00  0.102047D+01  0.221730D+01 -0.918093D+00  0.471104D+00
      3  -0.352847D+01 -0.908074D+00 -0.970820D+01  0.382847D+01  0.201911D+00
               166           167           168           169           170 
      1  -0.942936D-01  0.101493D+00 -0.300734D+01 -0.123433D+00  0.174319D+01
      2  -0.891244D+00  0.128408D+01 -0.909199D+00 -0.180022D+01  0.522778D+00
      3   0.670895D+01 -0.504861D+01 -0.119640D+01  0.514868D-01 -0.128591D+01
               171           172           173           174           175 
      1  -0.212874D+00  0.387696D+00 -0.546261D+00 -0.238034D+01 -0.208272D+00
      2  -0.364522D+00  0.371860D+01  0.114369D+01 -0.511688D+01 -0.168470D-01
      3  -0.130234D+00  0.104728D+01  0.145157D+01 -0.202129D+01  0.996475D+00
               176           177           178           179           180 
      1  -0.308199D+00 -0.227746D+01 -0.619691D+00  0.700310D+00  0.685058D+01
      2   0.138230D+01 -0.467407D+01 -0.363631D+01 -0.556197D+01  0.180047D+02
      3   0.261104D+01 -0.123232D+01 -0.149412D+01 -0.274339D+01  0.737957D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.963240D+01 -0.211226D+02 -0.337858D+01  0.196820D+02  0.125502D+02
      2  -0.937625D+01  0.142312D+02  0.950497D+00 -0.167985D+02 -0.155572D+02
      3  -0.256150D+00  0.689139D+01  0.242809D+01 -0.288354D+01  0.300708D+01
      4  -0.159526D+02 -0.696680D+01 -0.412966D+01  0.951181D+01 -0.391937D+01
      5  -0.621486D+01 -0.238432D+01 -0.888238D+00 -0.980296D-01 -0.709921D+01
      6  -0.530278D+01 -0.749084D+00  0.336635D+01 -0.514356D+01 -0.115136D+02
                 6             7             8             9            10 
      1   0.440074D+01  0.457752D+01  0.138480D+01 -0.494360D+01 -0.992721D+00
      2  -0.660444D+01 -0.786265D+01 -0.951028D+01 -0.572227D+01  0.312121D-01
      3   0.220370D+01  0.328513D+01  0.812548D+01  0.106659D+02  0.961509D+00
      4  -0.646472D+01 -0.339562D+01 -0.108266D+02  0.113744D+02  0.119584D+02
      5   0.757921D+01  0.115044D+02  0.120425D+02  0.977254D+01  0.382414D+01
      6   0.278295D+01  0.525574D+01  0.117708D+02  0.317827D+01  0.246995D+01
                11            12            13            14            15 
      1   0.165215D+02  0.453499D+01 -0.530853D+01  0.279123D+01  0.458273D+01
      2  -0.126675D+02 -0.431401D+00  0.130106D+02 -0.448649D+01 -0.346153D+01
      3  -0.385397D+01 -0.410359D+01 -0.770210D+01  0.169526D+01 -0.112121D+01
      4  -0.907753D+01 -0.353174D+00  0.458197D+01  0.137679D+02  0.242379D+01
      5  -0.114029D+01 -0.232793D+01  0.353875D+01  0.243392D+01  0.557897D+00
      6  -0.181307D+01 -0.452221D+01  0.853379D+01 -0.580593D+01  0.461681D+01
                16            17            18            19            20 
      1  -0.176716D+01  0.614303D+01 -0.131075D+02 -0.207578D+02 -0.224595D+01
      2   0.710683D+01 -0.830004D+01  0.121755D+01  0.625080D+01  0.168155D+01
      3  -0.533967D+01  0.215701D+01  0.118900D+02  0.145070D+02  0.564401D+00
      4   0.282385D+01  0.189979D+01  0.386925D+01  0.454069D+01  0.158186D+01
      5   0.323348D+01  0.231194D+01 -0.602263D+00 -0.790198D+01 -0.113964D+01
      6  -0.305344D+01  0.107003D+02 -0.739173D+00 -0.354279D+01  0.455968D+00
                21            22            23            24            25 
      1  -0.260172D+01  0.368031D+01 -0.115229D+02 -0.196845D+01 -0.501444D+01
      2  -0.975057D-01 -0.531083D+01  0.151250D+02  0.751870D+01 -0.107954D+01
      3   0.269922D+01  0.163051D+01 -0.360212D+01 -0.555026D+01  0.609399D+01
      4  -0.506229D+00 -0.116716D+02 -0.271013D+01  0.837343D+00 -0.604801D+01
      5   0.272653D+00 -0.582966D+01  0.944804D+00 -0.426548D-01  0.477218D+01
      6   0.131969D+01 -0.370941D+01  0.629391D+01 -0.842148D+00  0.139777D+00
                26            27            28            29            30 
      1  -0.257453D+01 -0.900664D+01  0.121952D+02 -0.114364D+02 -0.110947D+01
      2   0.469107D+01 -0.270613D+01 -0.860437D+01  0.919056D+01  0.199729D-02
      3  -0.211654D+01  0.117128D+02 -0.359080D+01  0.224583D+01  0.110747D+01
      4   0.129195D+01  0.919229D+00 -0.948120D+01 -0.168051D+02 -0.367919D+01
      5   0.789363D+00 -0.715448D+00  0.746559D+00 -0.241825D+01 -0.408004D+01
      6   0.594814D+01 -0.315368D+01 -0.216552D+01 -0.673362D+00  0.318781D+01
                31            32            33            34            35 
      1  -0.186898D+00  0.990318D+01  0.618291D+01  0.289949D+01  0.461612D+01
      2  -0.793329D+01 -0.122598D+02 -0.785089D+01 -0.522007D+01 -0.113697D+02
      3   0.812019D+01  0.235659D+01  0.166798D+01  0.232058D+01  0.675359D+01
      4   0.112259D+02 -0.121409D+02 -0.163013D+01 -0.396079D+00 -0.261106D+01
      5  -0.360832D+00 -0.218875D+01 -0.122277D+01  0.320594D+01 -0.497334D+01
      6  -0.570222D+01 -0.109746D+02  0.269549D+01  0.124492D+01  0.117022D+02
                36            37            38            39            40 
      1  -0.140837D+02 -0.169336D+01  0.230925D+02  0.627366D+01 -0.250483D+02
      2  -0.116341D+01 -0.201232D+01 -0.148620D+02 -0.978100D+00  0.230837D+02
      3   0.152471D+02  0.370568D+01 -0.823054D+01 -0.529556D+01  0.196462D+01
      4  -0.656898D+01  0.176591D+02  0.212733D+01  0.184457D+01  0.190129D+01
      5  -0.535563D+01  0.925307D+00  0.691587D-01  0.557554D+01 -0.560708D+01
      6   0.415000D+01  0.425673D+00 -0.214348D+01 -0.536432D+01  0.775245D+01
                41            42            43            44            45 
      1   0.515521D+01  0.990576D+00 -0.839844D+01  0.441293D+01  0.206951D+01
      2  -0.824623D+01 -0.140336D+01  0.109873D+02 -0.824808D+01 -0.833452D+01
      3   0.309102D+01  0.412787D+00 -0.258887D+01  0.383515D+01  0.626501D+01
      4   0.101975D+02  0.971948D+01 -0.213510D+01  0.100770D+02 -0.122404D+02
      5   0.823294D+01 -0.832255D+01  0.176840D+02 -0.130620D+02 -0.833877D+01
      6  -0.694527D+01  0.312657D+01 -0.567078D+01  0.102478D+02 -0.108609D+01
                46            47            48            49            50 
      1  -0.156758D+02 -0.337319D+01 -0.512106D+01  0.949406D+01 -0.212463D+02
      2   0.104828D+02  0.251887D+01  0.236374D+01 -0.785172D+01  0.180065D+02
      3   0.519298D+01  0.854322D+00  0.275732D+01 -0.164234D+01  0.323985D+01
      4  -0.251588D+01  0.210301D+02  0.959272D+00 -0.179846D+02 -0.390125D+01
      5  -0.421654D+01  0.666756D+00  0.150177D+02 -0.132957D+02 -0.140075D+01
      6   0.152899D+01  0.437903D+00  0.182503D+01 -0.356034D+01  0.430141D+01
                51            52            53            54            55 
      1  -0.878157D+01 -0.301838D+01 -0.955441D+01  0.119932D+02  0.123448D+02
      2   0.101154D+02 -0.103949D+01  0.719238D+01 -0.149154D+02 -0.426820D+01
      3  -0.133384D+01  0.405787D+01  0.236203D+01  0.292221D+01 -0.807655D+01
      4  -0.411642D+01 -0.139542D+02 -0.157441D+01  0.194437D+01  0.164226D+01
      5   0.105199D+01  0.326281D+02  0.311777D+01  0.420827D+01  0.649836D+01
      6  -0.135531D+01  0.121063D+01  0.552034D+01 -0.418912D+01  0.186726D+01
                56            57            58            59            60 
      1   0.968212D+00 -0.104324D+01  0.942620D+01  0.472010D+01  0.752475D+01
      2   0.238190D+01 -0.158714D+01 -0.617910D+01 -0.101691D+02 -0.133046D+02
      3  -0.335011D+01  0.263038D+01 -0.324710D+01  0.544905D+01  0.577989D+01
      4  -0.938452D+01  0.355315D+01 -0.136298D+02 -0.201848D+02 -0.170078D+02
      5   0.361565D+01 -0.142259D+02  0.132665D+02 -0.150643D+02 -0.316791D+01
      6  -0.762860D+00 -0.910607D+00 -0.448993D+01 -0.119529D+02 -0.753719D+01
                61            62            63            64            65 
      1   0.452597D+01  0.608897D+01 -0.509108D+01 -0.347645D+02  0.288995D+00
      2  -0.960199D+01 -0.399664D+01  0.651381D+01  0.232364D+02 -0.429431D+01
      3   0.507602D+01 -0.209232D+01 -0.142273D+01  0.115281D+02  0.400531D+01
      4   0.121672D+02 -0.171179D+02 -0.124026D+02 -0.127674D+01  0.125064D+02
      5  -0.272065D+02 -0.119485D+02  0.855445D+01 -0.154572D+02 -0.127190D+01
      6  -0.712270D+01 -0.907448D+01  0.178706D+01 -0.124465D+01  0.137746D+01
                66            67            68            69            70 
      1  -0.971309D+01 -0.108778D+02 -0.249483D+01 -0.380851D+01 -0.882570D+01
      2   0.615255D+00  0.335861D+01  0.121617D+02 -0.603712D+00  0.228749D+01
      3   0.909784D+01  0.751923D+01 -0.966687D+01  0.441222D+01  0.653821D+01
      4   0.731019D+00  0.181505D+02 -0.113367D+02  0.107057D+02 -0.617256D+00
      5   0.112139D+02 -0.105540D+02  0.987361D+01 -0.142057D+01  0.102089D+02
      6  -0.368407D+01  0.546275D+01 -0.391181D+01  0.692809D+01 -0.170936D+01
                71            72            73            74            75 
      1  -0.119778D+00  0.148946D+02 -0.561834D+02 -0.161251D+02  0.926049D+01
      2  -0.712811D+01  0.194980D+00  0.232115D+02  0.954791D+01 -0.109549D+01
      3   0.724789D+01 -0.150896D+02  0.329718D+02  0.657722D+01 -0.816499D+01
      4   0.297552D+01  0.152634D+01 -0.208131D+02  0.741579D+01 -0.325715D+01
      5   0.384596D+01 -0.159610D+02  0.134963D+02 -0.373626D+00  0.118435D+02
      6   0.383216D+01  0.846877D+01  0.398543D+01 -0.721625D+01  0.440789D+01
                76            77            78            79            80 
      1  -0.165495D+02  0.192559D+02 -0.475112D+01  0.188379D-01 -0.616426D+01
      2   0.889916D+01 -0.506965D+01  0.125035D+02  0.849873D+01  0.117753D+02
      3   0.765036D+01 -0.141862D+02 -0.775241D+01 -0.851756D+01 -0.561108D+01
      4   0.692167D+01  0.244536D+01  0.173407D+02 -0.861107D+01  0.134711D+02
      5  -0.271166D+01  0.126739D+02  0.793363D+01  0.234934D+02  0.108950D+02
      6  -0.434672D+01  0.422674D+01 -0.126858D+02  0.851629D+01 -0.863878D+01
                81            82            83            84            85 
      1   0.124274D+02  0.701848D+02 -0.343197D+01  0.937249D+01  0.468003D+01
      2  -0.117050D+02 -0.404676D+02  0.152555D+01 -0.790091D+01 -0.238877D+01
      3  -0.722400D+00 -0.297172D+02  0.190641D+01 -0.147158D+01 -0.229126D+01
      4   0.112585D+02 -0.142786D+02  0.705148D+01 -0.378812D+01  0.552439D+01
      5  -0.129442D+02  0.273406D+02 -0.313548D+01  0.126660D+02  0.450375D+00
      6  -0.531945D+01 -0.204591D+01  0.207197D+01 -0.224166D+01  0.167203D+01
                86            87            88            89            90 
      1   0.288987D+01 -0.849422D+00  0.404747D+01 -0.104348D+01  0.441745D+01
      2  -0.225371D+00  0.861312D+00 -0.341986D+01  0.112639D+01 -0.425543D+01
      3  -0.266450D+01 -0.118898D-01 -0.627615D+00 -0.829020D-01 -0.162016D+00
      4  -0.153372D+01  0.236082D-01 -0.228812D+01 -0.228310D-01 -0.145577D+01
      5   0.181278D+00  0.271242D+00  0.103904D+02 -0.154962D+01  0.548671D+01
      6  -0.820130D-01  0.107526D+01 -0.149866D+01  0.873674D+00 -0.104808D+01
                91            92            93            94            95 
      1   0.855082D+00  0.287224D+01  0.214019D+01  0.114877D+01 -0.124461D+02
      2   0.180022D+01 -0.495304D+00 -0.301296D+00  0.165595D+01  0.195855D+02
      3  -0.265530D+01 -0.237694D+01 -0.183890D+01 -0.280472D+01 -0.713938D+01
      4   0.809759D+01  0.107129D+02  0.307549D+01  0.107284D+02  0.292226D+02
      5   0.360547D+01  0.305221D+01  0.680860D+01  0.354762D+01  0.875604D+01
      6   0.445402D+01  0.202524D+01  0.128678D+01  0.299143D+01  0.160620D+02
                96            97            98            99           100 
      1  -0.507177D+01  0.698827D+00 -0.619612D+01 -0.521329D+01  0.379124D+01
      2   0.636799D+01  0.491402D+00  0.459510D+01  0.117773D+01 -0.297000D+01
      3  -0.129622D+01 -0.119023D+01  0.160102D+01  0.403556D+01 -0.821239D+00
      4   0.963745D+01  0.298242D+01  0.121952D+02  0.957545D+01 -0.121400D+01
      5   0.922853D+01  0.816827D+01  0.875841D+01  0.849470D+01 -0.294176D+01
      6   0.103381D+02  0.325108D+01  0.121989D+02  0.956354D+01  0.223320D+01
               101           102           103           104           105 
      1  -0.196546D+01 -0.538612D+01 -0.518526D+01 -0.800108D+01 -0.567783D+01
      2   0.853227D+00  0.701228D+00  0.376224D+01  0.623412D-01 -0.646012D+01
      3   0.111223D+01  0.468490D+01  0.142302D+01  0.793874D+01  0.121380D+02
      4  -0.347867D+00  0.584656D+00  0.187398D+01 -0.160044D+02 -0.108804D+02
      5   0.207256D+01  0.373454D+00  0.730331D+01 -0.894879D+01 -0.141749D+02
      6   0.169250D+01 -0.206627D+00 -0.357473D-01  0.120458D+02  0.986595D+01
               106           107           108           109           110 
      1  -0.344437D+01 -0.414862D+01 -0.112020D+02 -0.195252D+01  0.982736D+01
      2   0.250916D+01 -0.519888D+01 -0.735215D+01  0.220226D+01 -0.668452D+01
      3   0.935205D+00  0.934750D+01  0.185541D+02 -0.249739D+00 -0.314283D+01
      4   0.146596D+01 -0.913586D+01 -0.872856D+01  0.219353D+01 -0.197503D+01
      5   0.413961D+01 -0.738049D+01 -0.140515D+02  0.437021D+00 -0.752784D+00
      6  -0.906845D+00  0.904851D+01  0.794622D+01 -0.412832D+01  0.609332D+01
               111           112           113           114           115 
      1  -0.792712D+01  0.942931D+01 -0.203938D+02  0.124981D+02 -0.357629D+01
      2   0.185564D+01 -0.574773D+01  0.175166D+02 -0.578160D+01  0.457378D+00
      3   0.607148D+01 -0.368158D+01  0.287723D+01 -0.671645D+01  0.311891D+01
      4   0.114923D+01  0.250486D+01  0.162655D+02 -0.104322D+02 -0.137606D+00
      5  -0.210910D+01 -0.429028D+01 -0.749382D+01  0.758684D+01  0.125265D+01
      6  -0.519660D+01  0.209859D+01 -0.188235D+02  0.148680D+02 -0.218567D+01
               116           117           118           119           120 
      1   0.101637D+02 -0.144239D+02  0.842323D+02  0.107205D+02 -0.582086D+01
      2  -0.374782D+01  0.203027D+01 -0.419089D+02 -0.355454D+01  0.657810D+01
      3  -0.641584D+01  0.123936D+02 -0.423234D+02 -0.716596D+01 -0.757242D+00
      4  -0.737875D+01  0.550727D+01  0.251887D+02  0.137083D+02 -0.306390D+01
      5   0.484930D+01 -0.696965D+01 -0.291815D+02 -0.469880D+01  0.146057D+02
      6   0.128616D+02 -0.116655D+02 -0.480179D+01 -0.318031D+01  0.272612D+01
               121           122           123           124           125 
      1   0.917750D+01  0.642857D+01  0.322461D+00  0.374034D+01  0.816180D+00
      2  -0.216713D+01 -0.203786D+01 -0.582673D+00  0.103876D+01 -0.321655D+00
      3  -0.701037D+01 -0.439071D+01  0.260212D+00 -0.477910D+01 -0.494525D+00
      4   0.153975D+02  0.720519D+01 -0.336087D+01  0.131245D+01 -0.605323D+00
      5  -0.345313D+01 -0.461591D+01  0.166495D+01  0.974416D+01  0.822578D+00
      6  -0.305161D+01 -0.212781D+01  0.333183D+01  0.182901D+01  0.225385D+01
               126           127           128           129           130 
      1   0.604385D+01 -0.552005D+01 -0.846856D+01 -0.284700D+01 -0.762276D+01
      2  -0.393303D+01  0.654814D+01  0.976686D+01  0.189850D+01  0.915576D+01
      3  -0.211082D+01 -0.102808D+01 -0.129831D+01  0.948499D+00 -0.153299D+01
      4   0.174302D+01  0.342781D+01  0.686786D+01  0.150005D+01  0.508522D+01
      5  -0.167200D+01  0.111713D+01  0.137226D+01  0.144959D+01  0.110216D+01
      6  -0.996320D-01  0.263762D+01  0.362857D+01  0.273030D+01  0.318723D+01
               131           132           133           134           135 
      1  -0.317087D+02 -0.888844D+01 -0.238570D+01 -0.883374D+01 -0.407678D+01
      2   0.406847D+02  0.780112D+01  0.256338D+01  0.978581D+01  0.412725D+01
      3  -0.897598D+01  0.108733D+01 -0.177681D+00 -0.952076D+00 -0.504746D-01
      4  -0.101110D+01 -0.773729D+00  0.136609D+01 -0.328711D+00  0.142148D+01
      5  -0.752448D+00 -0.345690D+00  0.982926D+00  0.515703D+00  0.660985D+00
      6   0.134671D+02  0.925796D+01  0.137440D+01  0.579552D+01  0.427688D+01
               136           137           138           139           140 
      1   0.215828D+02 -0.133993D+02 -0.284484D+01 -0.857023D+01  0.278974D+01
      2  -0.400505D+01 -0.993681D+00  0.115732D+01 -0.623879D+01  0.167382D+02
      3  -0.175778D+02  0.143930D+02  0.168752D+01  0.148090D+02 -0.195279D+02
      4  -0.326677D+02  0.297163D+02  0.469474D+01  0.328861D+02 -0.432558D+02
      5  -0.690122D+01  0.481645D+01  0.647724D+01  0.707147D+01 -0.810778D+01
      6   0.265619D+01 -0.220588D+01 -0.342614D+01 -0.439669D+01  0.616138D+01
               141           142           143           144           145 
      1   0.782934D+00 -0.126214D+01  0.121211D+00 -0.340312D-01  0.100700D+03
      2   0.854715D+00 -0.101799D+01  0.266743D+01  0.126844D+01 -0.565993D+02
      3  -0.163765D+01  0.228014D+01 -0.278864D+01 -0.123441D+01 -0.441011D+02
      4  -0.763279D+01  0.652329D+01 -0.830959D+01 -0.440587D+01  0.130797D+02
      5  -0.687328D+01  0.330466D+01 -0.371184D+01 -0.221023D+01  0.966051D+01
      6   0.628829D+01 -0.251143D+01  0.370693D+01  0.243671D+01 -0.234543D+01
               146           147           148           149           150 
      1   0.851708D+01  0.633064D+01  0.659380D+01  0.965266D+01  0.177693D+01
      2  -0.416691D+01 -0.434264D+01 -0.280284D+01 -0.438250D+01 -0.143401D+01
      3  -0.435017D+01 -0.198800D+01 -0.379096D+01 -0.527015D+01 -0.342925D+00
      4   0.965693D+01  0.392684D+00  0.155251D+02  0.409992D+01  0.137360D+01
      5   0.359130D+00  0.111969D+02  0.359250D+01  0.151051D+01  0.147382D+01
      6   0.206485D+00  0.551067D+00  0.807915D+00 -0.959203D-01  0.140643D+01
               151           152           153           154           155 
      1   0.732257D+01  0.201162D+01  0.464374D+01  0.555179D+01  0.479426D+01
      2  -0.421564D+01 -0.111703D+01 -0.287920D+01  0.304714D+01  0.466897D+01
      3  -0.310693D+01 -0.894593D+00 -0.176454D+01 -0.859892D+01 -0.946323D+01
      4   0.386851D+01  0.147476D+01  0.961027D+00  0.188319D+02  0.228181D+02
      5   0.475518D+01  0.648422D+00  0.171208D+01  0.489212D+01  0.541462D+01
      6   0.228201D+00  0.679057D+00  0.340933D+00  0.362694D+01  0.404879D+01
               156           157           158           159           160 
      1   0.115171D+01 -0.103810D+01 -0.156460D+02 -0.388826D+01  0.131529D-01
      2   0.199177D+00  0.109376D+02  0.361190D+02  0.556714D+01  0.216876D+01
      3  -0.135088D+01 -0.989947D+01 -0.204729D+02 -0.167888D+01 -0.218192D+01
      4   0.551787D+01  0.238677D+02  0.457304D+02  0.103167D+02  0.664558D+01
      5   0.495187D+01  0.574591D+01  0.100238D+02  0.708248D+01  0.272165D+01
      6   0.319953D+01  0.567376D+01  0.135685D+02  0.963015D+01  0.281217D+01
               161           162           163           164           165 
      1  -0.346273D+01 -0.251610D+01 -0.463765D+01  0.664334D+01  0.103325D+01
      2   0.740502D+01  0.342430D+01  0.610384D+01 -0.920734D+01 -0.715892D+00
      3  -0.394229D+01 -0.908203D+00 -0.146619D+01  0.256400D+01 -0.317361D+00
      4   0.121279D+02  0.502835D+01 -0.843717D+01  0.734853D+01  0.906910D+00
      5   0.423794D+01  0.317465D+01 -0.572790D+00  0.778821D+00  0.150303D+01
      6   0.638759D+01  0.437132D+01  0.898670D+00 -0.161741D+01 -0.264479D+01
               166           167           168           169           170 
      1   0.788297D+01 -0.197935D+02 -0.370709D+01  0.163929D+01 -0.397682D+01
      2  -0.104434D+02  0.263079D+02  0.289948D+01 -0.204697D+01  0.446354D+01
      3   0.256043D+01 -0.651440D+01  0.807608D+00  0.407687D+00 -0.486712D+00
      4   0.764563D+01 -0.782324D+01 -0.819700D+00  0.130043D+01 -0.128002D+01
      5   0.983536D+00 -0.106240D+01 -0.117134D+01  0.121153D+01 -0.873627D+00
      6  -0.246381D+01  0.497136D+01  0.532196D+01 -0.123785D+01  0.290939D+01
               171           172           173           174           175 
      1  -0.128464D+01 -0.283711D+01 -0.233994D+01  0.927385D+01 -0.976320D+00
      2   0.199463D+01 -0.730306D+00  0.390751D+00  0.339840D+00  0.336019D+00
      3  -0.709991D+00  0.356742D+01  0.194919D+01 -0.961369D+01  0.640301D+00
      4  -0.214526D+01  0.270483D+00 -0.175505D+01 -0.303997D+00  0.199586D+01
      5  -0.119891D+01  0.202799D+01  0.925685D+00 -0.371373D+01 -0.401778D+00
      6   0.180371D+01 -0.120676D+01 -0.167650D+01  0.359646D+01 -0.963066D-01
               176           177           178           179           180 
      1  -0.370324D+01  0.444490D+01  0.742006D+01  0.643051D+01 -0.225803D+02
      2   0.176679D+01  0.768534D+00 -0.339407D+01  0.135070D+01 -0.100561D+02
      3   0.193645D+01 -0.521343D+01 -0.402599D+01 -0.778121D+01  0.326364D+02
      4  -0.485961D+01  0.192395D+01 -0.287267D+01  0.367778D+01 -0.718114D+01
      5   0.210328D+01 -0.768895D+01  0.584700D+01 -0.908239D+01  0.291389D+02
      6  -0.303657D+01  0.749715D+01  0.287688D+00  0.750634D+01 -0.151945D+02
 Leave Link  716 at Thu Aug 12 22:04:53 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.132042D+03  0.253159D+00  0.118362D+01
      2   0.253159D+00  0.106230D+03  0.582821D+01
      3   0.118362D+01  0.582821D+01  0.766105D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.152886D+01  0.213139D+01  0.919854D+00
      2   0.375865D+01  0.140955D+02 -0.128050D+02
      3  -0.361290D+01 -0.309365D+02 -0.131617D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.663851D+02  0.481405D+01  0.326562D+01
      2  -0.179866D+02 -0.641269D+01 -0.786015D+01
      3  -0.483984D+02  0.159864D+01  0.459453D+01
      4  -0.608150D+01  0.614956D+02  0.346412D+02
      5   0.197029D+02  0.357719D+02 -0.337353D+02
      6   0.147246D+02  0.506652D+01 -0.394009D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.358498D+01 -0.475423D+00 -0.982897D-01  0.457352D+01  0.269146D-01
      2  -0.475423D+00  0.188403D+01 -0.361947D+00  0.269146D-01  0.918068D+00
      3  -0.982897D-01 -0.361947D+00  0.745319D+00 -0.443532D+00 -0.111720D+01
                 6             7             8             9            10 
      1  -0.443532D+00  0.639670D+00 -0.827868D+00  0.177466D+01  0.337518D+01
      2  -0.111720D+01 -0.827868D+00 -0.143944D+01  0.311249D+01 -0.596896D+00
      3   0.150535D+01  0.177466D+01  0.311249D+01  0.267287D+01  0.703148D-01
                11            12            13            14            15 
      1  -0.596896D+00  0.703148D-01  0.761083D+01  0.477508D-01  0.145708D+00
      2  -0.289639D+01 -0.529448D+00  0.477508D-01  0.170187D+01 -0.763398D+00
      3  -0.529448D+00 -0.164139D+01  0.145708D+00 -0.763398D+00  0.166497D+01
                16            17            18            19            20 
      1   0.252386D+01  0.157654D-01 -0.172680D+01 -0.161031D+02 -0.204694D+01
      2   0.157654D-01 -0.159605D+01  0.290239D+01 -0.204694D+01 -0.240805D+01
      3  -0.172680D+01  0.290239D+01  0.119022D+01  0.438404D+00  0.115002D+00
                21            22            23            24            25 
      1   0.438404D+00 -0.288608D+01  0.106263D+01  0.142071D+01 -0.957423D+00
      2   0.115002D+00  0.106263D+01 -0.360252D+00 -0.381416D+00  0.130994D+01
      3  -0.194407D+01  0.142071D+01 -0.381416D+00 -0.122401D+00 -0.376865D+01
                26            27            28            29            30 
      1   0.130994D+01 -0.376865D+01  0.470125D+01  0.228675D+01  0.587380D+00
      2  -0.579037D+00 -0.535274D+00  0.228675D+01 -0.197790D+01 -0.152372D+00
      3  -0.535274D+00 -0.548217D+00  0.587380D+00 -0.152372D+00 -0.928927D+00
                31            32            33            34            35 
      1  -0.643445D+01 -0.488401D+00  0.308164D+00 -0.683163D+00  0.940846D+00
      2  -0.488401D+00 -0.164405D+01  0.122439D+01  0.940846D+00  0.134302D+01
      3   0.308164D+00  0.122439D+01 -0.148548D+01 -0.676071D+00 -0.306282D+01
                36            37            38            39            40 
      1  -0.676071D+00 -0.218925D+01 -0.603949D+00 -0.305152D+00 -0.486342D+01
      2  -0.306282D+01 -0.603949D+00  0.217483D+01  0.696039D+00 -0.872511D+00
      3  -0.303460D+01 -0.305152D+00  0.696039D+00  0.169962D+01 -0.100879D+01
                41            42            43            44            45 
      1  -0.872511D+00 -0.100879D+01 -0.151322D+01 -0.772534D+00  0.266051D+01
      2  -0.893865D+00  0.124250D+01 -0.772534D+00  0.176996D+01 -0.269368D+01
      3   0.124250D+01 -0.145428D+01  0.266051D+01 -0.269368D+01 -0.129030D+01
                46            47            48            49            50 
      1   0.491126D+01  0.300260D+00 -0.503854D+00  0.783395D+00 -0.103006D+00
      2   0.300260D+00  0.312040D+01  0.153480D+00 -0.103006D+00  0.248096D+00
      3  -0.503854D+00  0.153480D+00  0.251627D+01 -0.129532D+01 -0.573826D+00
                51            52            53            54            55 
      1  -0.129532D+01 -0.573764D-01 -0.132659D+01  0.498602D+01  0.312582D+01
      2  -0.573826D+00 -0.132659D+01  0.251191D-01  0.423609D+00  0.481668D+00
      3   0.297263D-01  0.498602D+01  0.423609D+00  0.746923D+00 -0.125707D+01
                56            57            58            59            60 
      1   0.481668D+00 -0.125707D+01  0.334126D+00  0.234824D+01 -0.205153D+01
      2   0.109470D+01 -0.102872D+01  0.234824D+01  0.482725D+01  0.364814D+01
      3  -0.102872D+01  0.234868D+01 -0.205153D+01  0.364814D+01  0.115690D+01
                61            62            63            64            65 
      1  -0.513447D+01 -0.179567D+01  0.477221D+01  0.662236D+01  0.128639D+01
      2  -0.179567D+01  0.317779D+01  0.259632D+01  0.128639D+01 -0.818326D+00
      3   0.477221D+01  0.259632D+01 -0.197089D+01  0.116977D+01  0.578743D+00
                66            67            68            69            70 
      1   0.116977D+01  0.351932D+01 -0.196326D+01  0.146438D+01  0.161325D+01
      2   0.578743D+00 -0.196326D+01  0.134465D+01 -0.184264D+01  0.335474D+00
      3  -0.186472D+01  0.146438D+01 -0.184264D+01 -0.208915D+00 -0.169504D+01
                71            72            73            74            75 
      1   0.335474D+00 -0.169504D+01  0.902108D+01  0.199582D+01  0.587664D-01
      2  -0.206817D+00 -0.111512D+01  0.199582D+01 -0.199366D+01  0.114130D+01
      3  -0.111512D+01  0.484506D+01  0.587664D-01  0.114130D+01 -0.277684D+01
                76            77            78            79            80 
      1   0.163016D+01 -0.187260D+01  0.140312D+01  0.529120D+01  0.178991D+01
      2  -0.187260D+01  0.355393D+00 -0.416380D+01  0.178991D+01 -0.298590D+01
      3   0.140312D+01 -0.416380D+01 -0.114216D+01 -0.418393D+01 -0.172665D+01
                81            82            83            84            85 
      1  -0.418393D+01 -0.119945D+02  0.883466D+00 -0.218121D+01 -0.329199D+00
      2  -0.172665D+01  0.883466D+00 -0.835315D+00  0.443180D+00 -0.552649D+00
      3   0.157869D+01 -0.218121D+01  0.443180D+00 -0.151305D+01  0.155109D-01
                86            87            88            89            90 
      1  -0.552649D+00  0.155109D-01 -0.592201D+00  0.223955D+00 -0.103636D+01
      2   0.458093D+00  0.120593D+00  0.223955D+00  0.333206D+00  0.222192D+00
      3   0.120593D+00 -0.363697D-01 -0.103636D+01  0.222192D+00 -0.626393D+00
                91            92            93            94            95 
      1   0.965281D-02 -0.143658D+01 -0.637100D+00 -0.254786D+01 -0.146065D+01
      2  -0.143658D+01 -0.114912D+01 -0.293806D+00 -0.146065D+01 -0.657287D+01
      3  -0.637100D+00 -0.293806D+00 -0.878888D+00 -0.467159D+00 -0.220876D+01
                96            97            98            99           100 
      1  -0.467159D+00 -0.631007D+00 -0.306379D+00 -0.125483D+01 -0.575959D+00
      2  -0.220876D+01 -0.306379D+00 -0.271958D+01 -0.217977D+01  0.587688D+00
      3  -0.219851D+01 -0.125483D+01 -0.217977D+01 -0.210395D+01  0.508226D+00
               101           102           103           104           105 
      1   0.587688D+00  0.508226D+00  0.162801D+01  0.488657D-02 -0.731895D+00
      2   0.403641D+00 -0.253693D-01  0.488657D-02  0.321022D+01  0.226501D+01
      3  -0.253693D-01  0.760652D+00 -0.731895D+00  0.226501D+01  0.318370D+01
               106           107           108           109           110 
      1   0.686794D+00 -0.292753D+00 -0.660014D-01  0.327237D+00 -0.112551D+01
      2  -0.292753D+00  0.190655D+01  0.173474D+01 -0.112551D+01  0.138218D+01
      3  -0.660014D-01  0.173474D+01  0.360292D+01  0.564928D+00 -0.894231D+00
               111           112           113           114           115 
      1   0.564928D+00 -0.164035D+01  0.543399D+00 -0.180154D+00  0.220193D+00
      2  -0.894231D+00  0.543399D+00 -0.463189D+01  0.281452D+01 -0.333527D+00
      3   0.154179D+01 -0.180154D+00  0.281452D+01 -0.250498D+01  0.570850D+00
               116           117           118           119           120 
      1  -0.333527D+00  0.570850D+00 -0.136288D+02 -0.208346D+01  0.170177D+01
      2   0.202072D+01 -0.180528D+01 -0.208346D+01 -0.121184D+01  0.330470D+00
      3  -0.180528D+01  0.263683D+01  0.170177D+01  0.330470D+00 -0.155065D+01
               121           122           123           124           125 
      1  -0.189823D+01 -0.160609D+01  0.158772D+00 -0.787041D+00 -0.194456D+00
      2  -0.160609D+01 -0.862602D+00  0.636999D+00 -0.194456D+00  0.119051D+00
      3   0.158772D+00  0.636999D+00 -0.201434D+00 -0.944357D+00 -0.727225D-01
               126           127           128           129           130 
      1  -0.944357D+00 -0.170581D+01 -0.173572D+01 -0.542123D+00 -0.149612D+01
      2  -0.727225D-01 -0.173572D+01 -0.201904D+01 -0.593461D+00 -0.197574D+01
      3  -0.612212D-01 -0.542123D+00 -0.593461D+00 -0.445439D+00 -0.535498D+00
               131           132           133           134           135 
      1  -0.197574D+01 -0.535498D+00 -0.652857D+00 -0.735593D+00 -0.164544D+00
      2  -0.799979D+01 -0.205236D+01 -0.735593D+00 -0.225833D+01 -0.750206D+00
      3  -0.205236D+01 -0.143025D+01 -0.164544D+00 -0.750206D+00 -0.514357D+00
               136           137           138           139           140 
      1   0.493359D+01 -0.381359D+01 -0.736800D+00 -0.365986D+01  0.435067D+01
      2  -0.381359D+01  0.347027D+01  0.533113D+00  0.435067D+01 -0.650151D+01
      3  -0.736800D+00  0.533113D+00  0.701614D+00  0.942737D+00 -0.118837D+01
               141           142           143           144           145 
      1   0.942737D+00 -0.757502D+00  0.852235D+00  0.316968D+00  0.134518D+02
      2  -0.118837D+01  0.852235D+00 -0.145412D+01 -0.468840D+00  0.121813D+01
      3  -0.105696D+01  0.316968D+00 -0.468840D+00 -0.291905D+00  0.999182D+00
               146           147           148           149           150 
      1   0.121813D+01  0.999182D+00  0.107278D+01  0.165939D+01  0.455866D+00
      2   0.906231D+00  0.362628D-01  0.165939D+01  0.457414D+00  0.152929D+00
      3   0.362628D-01  0.108310D+01  0.455866D+00  0.152929D+00  0.158990D+00
               151           152           153           154           155 
      1   0.101315D+01  0.441498D+00  0.255521D+00  0.235168D+01  0.264018D+01
      2   0.441498D+00  0.117005D+00  0.421428D-01  0.264018D+01  0.276496D+01
      3   0.255521D+00  0.421428D-01  0.154099D+00  0.756652D+00  0.715200D+00
               156           157           158           159           160 
      1   0.756652D+00  0.230441D+01  0.370485D+01  0.953021D+00  0.760549D+00
      2   0.715200D+00  0.370485D+01  0.912251D+01  0.213415D+01  0.110492D+01
      3   0.575023D+00  0.953021D+00  0.213415D+01  0.146604D+01  0.371979D+00
               161           162           163           164           165 
      1   0.110492D+01  0.371979D+00 -0.357362D+01  0.217465D+01  0.195190D+00
      2   0.239045D+01  0.776819D+00  0.217465D+01 -0.244351D+01 -0.250209D+00
      3   0.776819D+00  0.524337D+00  0.195190D+00 -0.250209D+00 -0.513080D+00
               166           167           168           169           170 
      1   0.238190D+01 -0.268122D+01 -0.482898D+00  0.283730D+00 -0.507676D+00
      2  -0.268122D+01  0.561224D+01  0.865724D+00 -0.507676D+00  0.119932D+01
      3  -0.482898D+00  0.865724D+00  0.930175D+00 -0.118184D+00  0.331956D+00
               171           172           173           174           175 
      1  -0.118184D+00  0.525107D+00  0.630633D-01 -0.788983D+00 -0.828944D-01
      2   0.331956D+00  0.630633D-01  0.551931D+00 -0.613223D+00 -0.172609D+00
      3   0.274915D+00 -0.788983D+00 -0.613223D+00  0.208500D+01 -0.712100D-01
               176           177           178           179           180 
      1  -0.172609D+00 -0.712100D-01 -0.126614D+01  0.785051D-01 -0.739563D-01
      2   0.121102D+01 -0.813179D+00  0.785051D-01 -0.116292D+01  0.226772D+01
      3  -0.813179D+00  0.174588D+01 -0.739563D-01  0.226772D+01 -0.778504D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.496307D-01  0.104073D+01 -0.186315D+01  0.143570D+01  0.852482D-02
      2  -0.679000D+00  0.268101D+01  0.116706D+01  0.124176D+01 -0.308234D+01
      3   0.169411D+01 -0.121209D+02 -0.236519D+01  0.388321D+01 -0.103316D+01
                 6             7             8             9            10 
      1  -0.237905D+01 -0.451047D+01  0.925510D+00 -0.112617D+01 -0.270881D+00
      2   0.371845D+01 -0.769350D+01  0.741807D+01  0.504960D+01  0.151630D+01
      3   0.197622D+01 -0.271437D+00  0.382088D+01 -0.403872D+01  0.147497D+01
                11            12            13            14            15 
      1   0.321863D-01  0.238905D+01 -0.679435D+00 -0.137388D+00 -0.253692D+01
      2   0.628161D+00 -0.137697D+01  0.389491D+01  0.417579D+00  0.124406D+01
      3  -0.358171D+00  0.709807D+00  0.341740D+01 -0.588281D+01  0.119058D+01
                16            17            18            19            20 
      1   0.627412D+01  0.364858D+01  0.598168D+00 -0.948006D+00 -0.276276D+00
      2  -0.120257D+02  0.437742D+00 -0.188830D+00 -0.371377D+01 -0.121246D+01
      3  -0.106746D+01 -0.464507D+00 -0.563458D+01  0.351957D+00  0.709911D+01
                21            22            23            24            25 
      1   0.107074D+00 -0.127268D+01 -0.340536D+01  0.106262D+01 -0.353209D+00
      2  -0.186517D+01 -0.122210D+01  0.888224D+00  0.473966D-01 -0.138498D+02
      3   0.737011D+00  0.157070D+02  0.163892D+01 -0.197110D+01 -0.124803D+00
                26            27            28            29            30 
      1   0.863825D+01  0.222320D+01  0.141467D+00  0.129903D+01 -0.160467D+01
      2   0.151910D+00  0.405476D+00  0.380016D+01  0.202520D+01 -0.494721D+00
      3   0.768112D-01  0.455137D+00 -0.565692D+01 -0.422555D+01 -0.242247D+01
                31            32            33            34            35 
      1   0.104701D+01  0.729617D+00 -0.255581D+01 -0.467178D+01  0.170675D+01
      2   0.177725D+01 -0.431139D+00 -0.134688D+01 -0.132464D+02 -0.114982D+01
      3   0.389669D+01  0.570871D+01 -0.193651D+00 -0.286764D+01 -0.197487D+01
                36            37            38            39            40 
      1  -0.577112D+00 -0.498903D+00 -0.767700D+00  0.238065D+01 -0.153571D+01
      2  -0.348727D+01 -0.116054D+01  0.170350D+01  0.283242D+01 -0.128727D+01
      3   0.464361D+01  0.366550D+01 -0.958908D+01 -0.182732D+01  0.733231D+01
                41            42            43            44            45 
      1  -0.301784D+00 -0.169115D+01  0.616205D+01  0.336397D+01  0.131457D+01
      2   0.322204D+01 -0.452535D+01 -0.368324D+01 -0.888722D+01 -0.353942D+01
      3   0.179443D+01 -0.202001D+01  0.392157D+00 -0.284902D+01  0.379903D+01
                46            47            48            49            50 
      1   0.299981D+00 -0.561435D+00 -0.807097D+00 -0.702219D+00 -0.278006D+01
      2   0.244660D+00 -0.314001D+00  0.669913D+01 -0.473251D+01  0.101733D+00
      3  -0.199719D+01 -0.647649D+01  0.114674D+00  0.103669D+02 -0.181008D+01
                51            52            53            54            55 
      1   0.109308D+01 -0.202746D+01  0.105276D+02  0.285428D+01 -0.734259D+00
      2   0.900596D+00  0.641600D+01  0.224279D+01  0.153490D+01  0.318475D+01
      3   0.918861D+00  0.399599D+01  0.836734D-01 -0.483506D+00 -0.632065D+00
                56            57            58            59            60 
      1  -0.905491D+00 -0.819120D+00  0.236345D+01  0.304625D+01  0.305641D+00
      2   0.129105D+01 -0.216014D+01  0.234912D+01 -0.761670D+01 -0.236919D+01
      3  -0.539943D+00  0.429084D+00  0.956943D+01  0.659027D+01  0.821189D+01
                61            62            63            64            65 
      1   0.280601D+01  0.411163D+01 -0.191526D+01 -0.221564D+01  0.226623D+01
      2  -0.157532D+02 -0.631174D+01  0.336960D+01  0.241675D+01 -0.117336D+01
      3   0.176632D+00  0.115660D+02  0.348002D+01  0.155171D+02 -0.740476D+01
                66            67            68            69            70 
      1   0.259080D+01  0.465265D-01 -0.238983D+01 -0.238816D+01 -0.648319D+00
      2   0.944160D+01  0.191338D+00  0.249831D+01  0.123560D+01  0.787404D+00
      3   0.427338D+01  0.203459D+01  0.424170D+01 -0.398290D+01  0.228134D+01
                71            72            73            74            75 
      1   0.653732D+01 -0.697013D+01  0.344072D+01 -0.322127D+01 -0.442968D+00
      2   0.438450D+01 -0.132916D+02 -0.132241D+02 -0.565569D+01  0.106888D+02
      3  -0.156811D+01 -0.468892D+01  0.286994D+00 -0.999446D+01  0.206932D+01
                76            77            78            79            80 
      1  -0.289430D+00 -0.127076D+01 -0.113093D+02 -0.123239D+01 -0.560599D+01
      2  -0.541161D+01  0.136332D+02  0.162710D+01  0.713372D+01  0.307162D+01
      3  -0.282637D+01  0.261734D+01 -0.141845D+02  0.901832D+00 -0.125583D+02
                81            82            83            84            85 
      1  -0.681519D+00  0.175878D+01  0.821739D+00  0.997199D+00 -0.734775D-01
      2   0.736080D+00 -0.466106D+01 -0.333361D+00  0.435583D+01 -0.777637D+00
      3  -0.154592D+01 -0.105342D+02 -0.418850D+01 -0.123526D+01 -0.142164D+01
                86            87            88            89            90 
      1  -0.292609D+00 -0.631002D+00  0.112309D+00  0.952166D-01  0.167198D+00
      2  -0.722293D+00  0.758891D+00  0.895918D+00 -0.126744D-01  0.914185D+00
      3   0.729275D+00  0.857432D+00 -0.355450D+00  0.714172D+00 -0.274353D+00
                91            92            93            94            95 
      1  -0.514516D+00 -0.655960D-01 -0.676589D+00 -0.844270D+00  0.386850D+00
      2   0.127490D+01  0.113759D+00  0.228497D+01 -0.638204D+00  0.420778D+01
      3  -0.377290D+01 -0.212697D+01 -0.192275D+00  0.289759D+01 -0.126581D+02
                96            97            98            99           100 
      1  -0.405670D+01 -0.875319D+00  0.258135D+00 -0.196979D+01  0.160046D+01
      2   0.403321D+01  0.293297D+00  0.339778D+01  0.356353D+01 -0.165609D+01
      3  -0.431742D+01  0.979718D+00 -0.566303D+01 -0.344780D+01  0.237239D+01
               101           102           103           104           105 
      1   0.141748D+01  0.275286D+00  0.518182D+00  0.781791D+01  0.364342D+01
      2  -0.975935D+00 -0.191603D+01 -0.169442D+01 -0.666773D+01 -0.741340D+01
      3   0.109401D+01 -0.637128D-01  0.202336D+01  0.915263D+01  0.653687D+01
               106           107           108           109           110 
      1  -0.249289D+00  0.588816D+01  0.452532D+01 -0.169142D+01  0.228668D+01
      2  -0.251338D+01 -0.436969D+01 -0.853314D+01 -0.339015D+01  0.340420D+01
      3  -0.392454D+00  0.536466D+01  0.481213D+01 -0.462220D+01  0.422017D+01
               111           112           113           114           115 
      1   0.549529D+00  0.134398D+01 -0.524002D+01  0.426855D+00  0.299944D+00
      2  -0.337064D+01  0.368484D+01 -0.824574D+01  0.618440D+01 -0.351565D+01
      3  -0.227978D+01  0.546115D+01 -0.118364D+02  0.726954D+01 -0.128029D+01
               116           117           118           119           120 
      1   0.332085D+01 -0.157641D+00 -0.126044D+01 -0.185950D+01 -0.130025D+01
      2   0.497837D+01 -0.672722D+01  0.109216D+02  0.135660D+01  0.597776D+01
      3   0.527272D+01 -0.519541D+01  0.353070D+01 -0.530523D+01  0.459123D-01
               121           122           123           124           125 
      1  -0.179543D+01 -0.490689D+00 -0.114384D+00 -0.905291D+00  0.107560D+01
      2   0.185680D+01 -0.272427D+00  0.834123D+00  0.152140D+01  0.269497D-01
      3  -0.194130D+01 -0.159927D+01  0.176638D+01 -0.119765D+00  0.131070D+01
               126           127           128           129           130 
      1  -0.291534D+00  0.109326D+00  0.303563D+00 -0.154961D+01  0.134063D+00
      2   0.116600D+01 -0.184451D+01 -0.123758D+01 -0.119133D+00 -0.164547D+01
      3   0.731801D+00  0.657086D+01  0.371827D+01  0.133792D+01  0.661478D+01
               131           132           133           134           135 
      1   0.814285D+00 -0.392392D+01  0.564222D+00  0.226298D+01 -0.665580D+00
      2  -0.235441D+01 -0.170592D+00 -0.206480D+01 -0.878099D+00 -0.114572D+00
      3   0.850655D+01  0.255067D+01  0.234537D+01  0.255451D+01  0.608155D+00
               136           137           138           139           140 
      1   0.192880D+00 -0.696237D+00  0.218555D+01  0.264249D+00  0.310690D+00
      2  -0.134630D-01 -0.275771D-01  0.282540D+01  0.966583D+00 -0.167446D+01
      3   0.157981D+01 -0.461443D+01 -0.236456D+00 -0.349448D+01  0.108520D+02
               141           142           143           144           145 
      1  -0.327783D+01 -0.832587D+00  0.140556D+01 -0.333833D+00 -0.124876D+00
      2  -0.365070D+01 -0.608828D+00  0.113419D+00 -0.510423D+00  0.131966D+01
      3   0.157836D+01 -0.109204D+01  0.267668D+01  0.567008D+00 -0.553362D+00
               146           147           148           149           150 
      1   0.371278D+00 -0.590214D+00 -0.110148D-01 -0.282884D-01 -0.387296D+00
      2  -0.111103D+00  0.634097D+01  0.177533D+01  0.396075D+00  0.905557D+00
      3  -0.530905D+01  0.184978D+00 -0.381419D+01 -0.122667D+01 -0.385623D+00
               151           152           153           154           155 
      1   0.395647D+00  0.635488D+00  0.275564D-01 -0.221454D+00  0.100062D+00
      2  -0.227236D+01 -0.873770D-01  0.399038D+00  0.319539D+00  0.526131D+00
      3  -0.152125D+01 -0.805225D+00 -0.128947D+00 -0.750626D+00 -0.226861D+01
               156           157           158           159           160 
      1  -0.167351D+01 -0.238449D+00  0.515215D+00 -0.429946D+01  0.570951D+00
      2   0.163881D+01  0.579379D+00  0.303596D+01  0.357001D+01 -0.425671D+00
      3  -0.370947D+00 -0.137063D+01 -0.132183D+02 -0.277954D+01 -0.537806D+00
               161           162           163           164           165 
      1   0.187145D+01 -0.748725D+00  0.499455D+00 -0.103921D+01  0.223238D+01
      2   0.383185D+00  0.102047D+01  0.221730D+01 -0.918093D+00  0.471104D+00
      3  -0.352847D+01 -0.908074D+00 -0.970820D+01  0.382847D+01  0.201911D+00
               166           167           168           169           170 
      1  -0.942936D-01  0.101493D+00 -0.300734D+01 -0.123433D+00  0.174319D+01
      2  -0.891244D+00  0.128408D+01 -0.909199D+00 -0.180022D+01  0.522778D+00
      3   0.670895D+01 -0.504861D+01 -0.119640D+01  0.514868D-01 -0.128591D+01
               171           172           173           174           175 
      1  -0.212874D+00  0.387696D+00 -0.546261D+00 -0.238034D+01 -0.208272D+00
      2  -0.364522D+00  0.371860D+01  0.114369D+01 -0.511688D+01 -0.168470D-01
      3  -0.130234D+00  0.104728D+01  0.145157D+01 -0.202129D+01  0.996475D+00
               176           177           178           179           180 
      1  -0.308199D+00 -0.227746D+01 -0.619691D+00  0.700310D+00  0.685058D+01
      2   0.138230D+01 -0.467407D+01 -0.363631D+01 -0.556197D+01  0.180047D+02
      3   0.261104D+01 -0.123232D+01 -0.149412D+01 -0.274339D+01  0.737957D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.963240D+01 -0.211226D+02 -0.337858D+01  0.196820D+02  0.125502D+02
      2  -0.937625D+01  0.142312D+02  0.950497D+00 -0.167985D+02 -0.155572D+02
      3  -0.256150D+00  0.689139D+01  0.242809D+01 -0.288354D+01  0.300708D+01
      4  -0.159526D+02 -0.696680D+01 -0.412966D+01  0.951181D+01 -0.391937D+01
      5  -0.621486D+01 -0.238432D+01 -0.888238D+00 -0.980296D-01 -0.709921D+01
      6  -0.530278D+01 -0.749084D+00  0.336635D+01 -0.514356D+01 -0.115136D+02
                 6             7             8             9            10 
      1   0.440074D+01  0.457752D+01  0.138480D+01 -0.494360D+01 -0.992721D+00
      2  -0.660444D+01 -0.786265D+01 -0.951028D+01 -0.572227D+01  0.312121D-01
      3   0.220370D+01  0.328513D+01  0.812548D+01  0.106659D+02  0.961509D+00
      4  -0.646472D+01 -0.339562D+01 -0.108266D+02  0.113744D+02  0.119584D+02
      5   0.757921D+01  0.115044D+02  0.120425D+02  0.977254D+01  0.382414D+01
      6   0.278295D+01  0.525574D+01  0.117708D+02  0.317827D+01  0.246995D+01
                11            12            13            14            15 
      1   0.165215D+02  0.453499D+01 -0.530853D+01  0.279123D+01  0.458273D+01
      2  -0.126675D+02 -0.431401D+00  0.130106D+02 -0.448649D+01 -0.346153D+01
      3  -0.385397D+01 -0.410359D+01 -0.770210D+01  0.169526D+01 -0.112121D+01
      4  -0.907753D+01 -0.353174D+00  0.458197D+01  0.137679D+02  0.242379D+01
      5  -0.114029D+01 -0.232793D+01  0.353875D+01  0.243392D+01  0.557897D+00
      6  -0.181307D+01 -0.452221D+01  0.853379D+01 -0.580593D+01  0.461681D+01
                16            17            18            19            20 
      1  -0.176716D+01  0.614303D+01 -0.131075D+02 -0.207578D+02 -0.224595D+01
      2   0.710683D+01 -0.830004D+01  0.121755D+01  0.625080D+01  0.168155D+01
      3  -0.533967D+01  0.215701D+01  0.118900D+02  0.145070D+02  0.564401D+00
      4   0.282385D+01  0.189979D+01  0.386925D+01  0.454069D+01  0.158186D+01
      5   0.323348D+01  0.231194D+01 -0.602263D+00 -0.790198D+01 -0.113964D+01
      6  -0.305344D+01  0.107003D+02 -0.739173D+00 -0.354279D+01  0.455968D+00
                21            22            23            24            25 
      1  -0.260172D+01  0.368031D+01 -0.115229D+02 -0.196845D+01 -0.501444D+01
      2  -0.975057D-01 -0.531083D+01  0.151250D+02  0.751870D+01 -0.107954D+01
      3   0.269922D+01  0.163051D+01 -0.360212D+01 -0.555026D+01  0.609399D+01
      4  -0.506229D+00 -0.116716D+02 -0.271013D+01  0.837343D+00 -0.604801D+01
      5   0.272653D+00 -0.582966D+01  0.944804D+00 -0.426548D-01  0.477218D+01
      6   0.131969D+01 -0.370941D+01  0.629391D+01 -0.842148D+00  0.139777D+00
                26            27            28            29            30 
      1  -0.257453D+01 -0.900664D+01  0.121952D+02 -0.114364D+02 -0.110947D+01
      2   0.469107D+01 -0.270613D+01 -0.860437D+01  0.919056D+01  0.199729D-02
      3  -0.211654D+01  0.117128D+02 -0.359080D+01  0.224583D+01  0.110747D+01
      4   0.129195D+01  0.919229D+00 -0.948120D+01 -0.168051D+02 -0.367919D+01
      5   0.789363D+00 -0.715448D+00  0.746559D+00 -0.241825D+01 -0.408004D+01
      6   0.594814D+01 -0.315368D+01 -0.216552D+01 -0.673362D+00  0.318781D+01
                31            32            33            34            35 
      1  -0.186898D+00  0.990318D+01  0.618291D+01  0.289949D+01  0.461612D+01
      2  -0.793329D+01 -0.122598D+02 -0.785089D+01 -0.522007D+01 -0.113697D+02
      3   0.812019D+01  0.235659D+01  0.166798D+01  0.232058D+01  0.675359D+01
      4   0.112259D+02 -0.121409D+02 -0.163013D+01 -0.396079D+00 -0.261106D+01
      5  -0.360832D+00 -0.218875D+01 -0.122277D+01  0.320594D+01 -0.497334D+01
      6  -0.570222D+01 -0.109746D+02  0.269549D+01  0.124492D+01  0.117022D+02
                36            37            38            39            40 
      1  -0.140837D+02 -0.169336D+01  0.230925D+02  0.627366D+01 -0.250483D+02
      2  -0.116341D+01 -0.201232D+01 -0.148620D+02 -0.978100D+00  0.230837D+02
      3   0.152471D+02  0.370568D+01 -0.823054D+01 -0.529556D+01  0.196462D+01
      4  -0.656898D+01  0.176591D+02  0.212733D+01  0.184457D+01  0.190129D+01
      5  -0.535563D+01  0.925307D+00  0.691587D-01  0.557554D+01 -0.560708D+01
      6   0.415000D+01  0.425673D+00 -0.214348D+01 -0.536432D+01  0.775245D+01
                41            42            43            44            45 
      1   0.515521D+01  0.990576D+00 -0.839844D+01  0.441293D+01  0.206951D+01
      2  -0.824623D+01 -0.140336D+01  0.109873D+02 -0.824808D+01 -0.833452D+01
      3   0.309102D+01  0.412787D+00 -0.258887D+01  0.383515D+01  0.626501D+01
      4   0.101975D+02  0.971948D+01 -0.213510D+01  0.100770D+02 -0.122404D+02
      5   0.823294D+01 -0.832255D+01  0.176840D+02 -0.130620D+02 -0.833877D+01
      6  -0.694527D+01  0.312657D+01 -0.567078D+01  0.102478D+02 -0.108609D+01
                46            47            48            49            50 
      1  -0.156758D+02 -0.337319D+01 -0.512106D+01  0.949406D+01 -0.212463D+02
      2   0.104828D+02  0.251887D+01  0.236374D+01 -0.785172D+01  0.180065D+02
      3   0.519298D+01  0.854322D+00  0.275732D+01 -0.164234D+01  0.323985D+01
      4  -0.251588D+01  0.210301D+02  0.959272D+00 -0.179846D+02 -0.390125D+01
      5  -0.421654D+01  0.666756D+00  0.150177D+02 -0.132957D+02 -0.140075D+01
      6   0.152899D+01  0.437903D+00  0.182503D+01 -0.356034D+01  0.430141D+01
                51            52            53            54            55 
      1  -0.878157D+01 -0.301838D+01 -0.955441D+01  0.119932D+02  0.123448D+02
      2   0.101154D+02 -0.103949D+01  0.719238D+01 -0.149154D+02 -0.426820D+01
      3  -0.133384D+01  0.405787D+01  0.236203D+01  0.292221D+01 -0.807655D+01
      4  -0.411642D+01 -0.139542D+02 -0.157441D+01  0.194437D+01  0.164226D+01
      5   0.105199D+01  0.326281D+02  0.311777D+01  0.420827D+01  0.649836D+01
      6  -0.135531D+01  0.121063D+01  0.552034D+01 -0.418912D+01  0.186726D+01
                56            57            58            59            60 
      1   0.968212D+00 -0.104324D+01  0.942620D+01  0.472010D+01  0.752475D+01
      2   0.238190D+01 -0.158714D+01 -0.617910D+01 -0.101691D+02 -0.133046D+02
      3  -0.335011D+01  0.263038D+01 -0.324710D+01  0.544905D+01  0.577989D+01
      4  -0.938452D+01  0.355315D+01 -0.136298D+02 -0.201848D+02 -0.170078D+02
      5   0.361565D+01 -0.142259D+02  0.132665D+02 -0.150643D+02 -0.316791D+01
      6  -0.762860D+00 -0.910607D+00 -0.448993D+01 -0.119529D+02 -0.753719D+01
                61            62            63            64            65 
      1   0.452597D+01  0.608897D+01 -0.509108D+01 -0.347645D+02  0.288995D+00
      2  -0.960199D+01 -0.399664D+01  0.651381D+01  0.232364D+02 -0.429431D+01
      3   0.507602D+01 -0.209232D+01 -0.142273D+01  0.115281D+02  0.400531D+01
      4   0.121672D+02 -0.171179D+02 -0.124026D+02 -0.127674D+01  0.125064D+02
      5  -0.272065D+02 -0.119485D+02  0.855445D+01 -0.154572D+02 -0.127190D+01
      6  -0.712270D+01 -0.907448D+01  0.178706D+01 -0.124465D+01  0.137746D+01
                66            67            68            69            70 
      1  -0.971309D+01 -0.108778D+02 -0.249483D+01 -0.380851D+01 -0.882570D+01
      2   0.615255D+00  0.335861D+01  0.121617D+02 -0.603712D+00  0.228749D+01
      3   0.909784D+01  0.751923D+01 -0.966687D+01  0.441222D+01  0.653821D+01
      4   0.731019D+00  0.181505D+02 -0.113367D+02  0.107057D+02 -0.617256D+00
      5   0.112139D+02 -0.105540D+02  0.987361D+01 -0.142057D+01  0.102089D+02
      6  -0.368407D+01  0.546275D+01 -0.391181D+01  0.692809D+01 -0.170936D+01
                71            72            73            74            75 
      1  -0.119778D+00  0.148946D+02 -0.561834D+02 -0.161251D+02  0.926049D+01
      2  -0.712811D+01  0.194980D+00  0.232115D+02  0.954791D+01 -0.109549D+01
      3   0.724789D+01 -0.150896D+02  0.329718D+02  0.657722D+01 -0.816499D+01
      4   0.297552D+01  0.152634D+01 -0.208131D+02  0.741579D+01 -0.325715D+01
      5   0.384596D+01 -0.159610D+02  0.134963D+02 -0.373626D+00  0.118435D+02
      6   0.383216D+01  0.846877D+01  0.398543D+01 -0.721625D+01  0.440789D+01
                76            77            78            79            80 
      1  -0.165495D+02  0.192559D+02 -0.475112D+01  0.188379D-01 -0.616426D+01
      2   0.889916D+01 -0.506965D+01  0.125035D+02  0.849873D+01  0.117753D+02
      3   0.765036D+01 -0.141862D+02 -0.775241D+01 -0.851756D+01 -0.561108D+01
      4   0.692167D+01  0.244536D+01  0.173407D+02 -0.861107D+01  0.134711D+02
      5  -0.271166D+01  0.126739D+02  0.793363D+01  0.234934D+02  0.108950D+02
      6  -0.434672D+01  0.422674D+01 -0.126858D+02  0.851629D+01 -0.863878D+01
                81            82            83            84            85 
      1   0.124274D+02  0.701848D+02 -0.343197D+01  0.937249D+01  0.468003D+01
      2  -0.117050D+02 -0.404676D+02  0.152555D+01 -0.790091D+01 -0.238877D+01
      3  -0.722400D+00 -0.297172D+02  0.190641D+01 -0.147158D+01 -0.229126D+01
      4   0.112585D+02 -0.142786D+02  0.705148D+01 -0.378812D+01  0.552439D+01
      5  -0.129442D+02  0.273406D+02 -0.313548D+01  0.126660D+02  0.450375D+00
      6  -0.531945D+01 -0.204591D+01  0.207197D+01 -0.224166D+01  0.167203D+01
                86            87            88            89            90 
      1   0.288987D+01 -0.849422D+00  0.404747D+01 -0.104348D+01  0.441745D+01
      2  -0.225371D+00  0.861312D+00 -0.341986D+01  0.112639D+01 -0.425543D+01
      3  -0.266450D+01 -0.118898D-01 -0.627615D+00 -0.829020D-01 -0.162016D+00
      4  -0.153372D+01  0.236082D-01 -0.228812D+01 -0.228310D-01 -0.145577D+01
      5   0.181278D+00  0.271242D+00  0.103904D+02 -0.154962D+01  0.548671D+01
      6  -0.820130D-01  0.107526D+01 -0.149866D+01  0.873674D+00 -0.104808D+01
                91            92            93            94            95 
      1   0.855082D+00  0.287224D+01  0.214019D+01  0.114877D+01 -0.124461D+02
      2   0.180022D+01 -0.495304D+00 -0.301296D+00  0.165595D+01  0.195855D+02
      3  -0.265530D+01 -0.237694D+01 -0.183890D+01 -0.280472D+01 -0.713938D+01
      4   0.809759D+01  0.107129D+02  0.307549D+01  0.107284D+02  0.292226D+02
      5   0.360547D+01  0.305221D+01  0.680860D+01  0.354762D+01  0.875604D+01
      6   0.445402D+01  0.202524D+01  0.128678D+01  0.299143D+01  0.160620D+02
                96            97            98            99           100 
      1  -0.507177D+01  0.698827D+00 -0.619612D+01 -0.521329D+01  0.379124D+01
      2   0.636799D+01  0.491402D+00  0.459510D+01  0.117773D+01 -0.297000D+01
      3  -0.129622D+01 -0.119023D+01  0.160102D+01  0.403556D+01 -0.821239D+00
      4   0.963745D+01  0.298242D+01  0.121952D+02  0.957545D+01 -0.121400D+01
      5   0.922853D+01  0.816827D+01  0.875841D+01  0.849470D+01 -0.294176D+01
      6   0.103381D+02  0.325108D+01  0.121989D+02  0.956354D+01  0.223320D+01
               101           102           103           104           105 
      1  -0.196546D+01 -0.538612D+01 -0.518526D+01 -0.800108D+01 -0.567783D+01
      2   0.853227D+00  0.701228D+00  0.376224D+01  0.623412D-01 -0.646012D+01
      3   0.111223D+01  0.468490D+01  0.142302D+01  0.793874D+01  0.121380D+02
      4  -0.347867D+00  0.584656D+00  0.187398D+01 -0.160044D+02 -0.108804D+02
      5   0.207256D+01  0.373454D+00  0.730331D+01 -0.894879D+01 -0.141749D+02
      6   0.169250D+01 -0.206627D+00 -0.357473D-01  0.120458D+02  0.986595D+01
               106           107           108           109           110 
      1  -0.344437D+01 -0.414862D+01 -0.112020D+02 -0.195252D+01  0.982736D+01
      2   0.250916D+01 -0.519888D+01 -0.735215D+01  0.220226D+01 -0.668452D+01
      3   0.935205D+00  0.934750D+01  0.185541D+02 -0.249739D+00 -0.314283D+01
      4   0.146596D+01 -0.913586D+01 -0.872856D+01  0.219353D+01 -0.197503D+01
      5   0.413961D+01 -0.738049D+01 -0.140515D+02  0.437021D+00 -0.752784D+00
      6  -0.906845D+00  0.904851D+01  0.794622D+01 -0.412832D+01  0.609332D+01
               111           112           113           114           115 
      1  -0.792712D+01  0.942931D+01 -0.203938D+02  0.124981D+02 -0.357629D+01
      2   0.185564D+01 -0.574773D+01  0.175166D+02 -0.578160D+01  0.457378D+00
      3   0.607148D+01 -0.368158D+01  0.287723D+01 -0.671645D+01  0.311891D+01
      4   0.114923D+01  0.250486D+01  0.162655D+02 -0.104322D+02 -0.137606D+00
      5  -0.210910D+01 -0.429028D+01 -0.749382D+01  0.758684D+01  0.125265D+01
      6  -0.519660D+01  0.209859D+01 -0.188235D+02  0.148680D+02 -0.218567D+01
               116           117           118           119           120 
      1   0.101637D+02 -0.144239D+02  0.842323D+02  0.107205D+02 -0.582086D+01
      2  -0.374782D+01  0.203027D+01 -0.419089D+02 -0.355454D+01  0.657810D+01
      3  -0.641584D+01  0.123936D+02 -0.423234D+02 -0.716596D+01 -0.757242D+00
      4  -0.737875D+01  0.550727D+01  0.251887D+02  0.137083D+02 -0.306390D+01
      5   0.484930D+01 -0.696965D+01 -0.291815D+02 -0.469880D+01  0.146057D+02
      6   0.128616D+02 -0.116655D+02 -0.480179D+01 -0.318031D+01  0.272612D+01
               121           122           123           124           125 
      1   0.917750D+01  0.642857D+01  0.322461D+00  0.374034D+01  0.816180D+00
      2  -0.216713D+01 -0.203786D+01 -0.582673D+00  0.103876D+01 -0.321655D+00
      3  -0.701037D+01 -0.439071D+01  0.260212D+00 -0.477910D+01 -0.494525D+00
      4   0.153975D+02  0.720519D+01 -0.336087D+01  0.131245D+01 -0.605323D+00
      5  -0.345313D+01 -0.461591D+01  0.166495D+01  0.974416D+01  0.822578D+00
      6  -0.305161D+01 -0.212781D+01  0.333183D+01  0.182901D+01  0.225385D+01
               126           127           128           129           130 
      1   0.604385D+01 -0.552005D+01 -0.846856D+01 -0.284700D+01 -0.762276D+01
      2  -0.393303D+01  0.654814D+01  0.976686D+01  0.189850D+01  0.915576D+01
      3  -0.211082D+01 -0.102808D+01 -0.129831D+01  0.948499D+00 -0.153299D+01
      4   0.174302D+01  0.342781D+01  0.686786D+01  0.150005D+01  0.508522D+01
      5  -0.167200D+01  0.111713D+01  0.137226D+01  0.144959D+01  0.110216D+01
      6  -0.996320D-01  0.263762D+01  0.362857D+01  0.273030D+01  0.318723D+01
               131           132           133           134           135 
      1  -0.317087D+02 -0.888844D+01 -0.238570D+01 -0.883374D+01 -0.407678D+01
      2   0.406847D+02  0.780112D+01  0.256338D+01  0.978581D+01  0.412725D+01
      3  -0.897598D+01  0.108733D+01 -0.177681D+00 -0.952076D+00 -0.504746D-01
      4  -0.101110D+01 -0.773729D+00  0.136609D+01 -0.328711D+00  0.142148D+01
      5  -0.752448D+00 -0.345690D+00  0.982926D+00  0.515703D+00  0.660985D+00
      6   0.134671D+02  0.925796D+01  0.137440D+01  0.579552D+01  0.427688D+01
               136           137           138           139           140 
      1   0.215828D+02 -0.133993D+02 -0.284484D+01 -0.857023D+01  0.278974D+01
      2  -0.400505D+01 -0.993681D+00  0.115732D+01 -0.623879D+01  0.167382D+02
      3  -0.175778D+02  0.143930D+02  0.168752D+01  0.148090D+02 -0.195279D+02
      4  -0.326677D+02  0.297163D+02  0.469474D+01  0.328861D+02 -0.432558D+02
      5  -0.690122D+01  0.481645D+01  0.647724D+01  0.707147D+01 -0.810778D+01
      6   0.265619D+01 -0.220588D+01 -0.342614D+01 -0.439669D+01  0.616138D+01
               141           142           143           144           145 
      1   0.782934D+00 -0.126214D+01  0.121211D+00 -0.340312D-01  0.100700D+03
      2   0.854715D+00 -0.101799D+01  0.266743D+01  0.126844D+01 -0.565993D+02
      3  -0.163765D+01  0.228014D+01 -0.278864D+01 -0.123441D+01 -0.441011D+02
      4  -0.763279D+01  0.652329D+01 -0.830959D+01 -0.440587D+01  0.130797D+02
      5  -0.687328D+01  0.330466D+01 -0.371184D+01 -0.221023D+01  0.966051D+01
      6   0.628829D+01 -0.251143D+01  0.370693D+01  0.243671D+01 -0.234543D+01
               146           147           148           149           150 
      1   0.851708D+01  0.633064D+01  0.659380D+01  0.965266D+01  0.177693D+01
      2  -0.416691D+01 -0.434264D+01 -0.280284D+01 -0.438250D+01 -0.143401D+01
      3  -0.435017D+01 -0.198800D+01 -0.379096D+01 -0.527015D+01 -0.342925D+00
      4   0.965693D+01  0.392684D+00  0.155251D+02  0.409992D+01  0.137360D+01
      5   0.359130D+00  0.111969D+02  0.359250D+01  0.151051D+01  0.147382D+01
      6   0.206485D+00  0.551067D+00  0.807915D+00 -0.959203D-01  0.140643D+01
               151           152           153           154           155 
      1   0.732257D+01  0.201162D+01  0.464374D+01  0.555179D+01  0.479426D+01
      2  -0.421564D+01 -0.111703D+01 -0.287920D+01  0.304714D+01  0.466897D+01
      3  -0.310693D+01 -0.894593D+00 -0.176454D+01 -0.859892D+01 -0.946323D+01
      4   0.386851D+01  0.147476D+01  0.961027D+00  0.188319D+02  0.228181D+02
      5   0.475518D+01  0.648422D+00  0.171208D+01  0.489212D+01  0.541462D+01
      6   0.228201D+00  0.679057D+00  0.340933D+00  0.362694D+01  0.404879D+01
               156           157           158           159           160 
      1   0.115171D+01 -0.103810D+01 -0.156460D+02 -0.388826D+01  0.131529D-01
      2   0.199177D+00  0.109376D+02  0.361190D+02  0.556714D+01  0.216876D+01
      3  -0.135088D+01 -0.989947D+01 -0.204729D+02 -0.167888D+01 -0.218192D+01
      4   0.551787D+01  0.238677D+02  0.457304D+02  0.103167D+02  0.664558D+01
      5   0.495187D+01  0.574591D+01  0.100238D+02  0.708248D+01  0.272165D+01
      6   0.319953D+01  0.567376D+01  0.135685D+02  0.963015D+01  0.281217D+01
               161           162           163           164           165 
      1  -0.346273D+01 -0.251610D+01 -0.463765D+01  0.664334D+01  0.103325D+01
      2   0.740502D+01  0.342430D+01  0.610384D+01 -0.920734D+01 -0.715892D+00
      3  -0.394229D+01 -0.908203D+00 -0.146619D+01  0.256400D+01 -0.317361D+00
      4   0.121279D+02  0.502835D+01 -0.843717D+01  0.734853D+01  0.906910D+00
      5   0.423794D+01  0.317465D+01 -0.572790D+00  0.778821D+00  0.150303D+01
      6   0.638759D+01  0.437132D+01  0.898670D+00 -0.161741D+01 -0.264479D+01
               166           167           168           169           170 
      1   0.788297D+01 -0.197935D+02 -0.370709D+01  0.163929D+01 -0.397682D+01
      2  -0.104434D+02  0.263079D+02  0.289948D+01 -0.204697D+01  0.446354D+01
      3   0.256043D+01 -0.651440D+01  0.807608D+00  0.407687D+00 -0.486712D+00
      4   0.764563D+01 -0.782324D+01 -0.819700D+00  0.130043D+01 -0.128002D+01
      5   0.983536D+00 -0.106240D+01 -0.117134D+01  0.121153D+01 -0.873627D+00
      6  -0.246381D+01  0.497136D+01  0.532196D+01 -0.123785D+01  0.290939D+01
               171           172           173           174           175 
      1  -0.128464D+01 -0.283711D+01 -0.233994D+01  0.927385D+01 -0.976320D+00
      2   0.199463D+01 -0.730306D+00  0.390751D+00  0.339840D+00  0.336019D+00
      3  -0.709991D+00  0.356742D+01  0.194919D+01 -0.961369D+01  0.640301D+00
      4  -0.214526D+01  0.270483D+00 -0.175505D+01 -0.303997D+00  0.199586D+01
      5  -0.119891D+01  0.202799D+01  0.925685D+00 -0.371373D+01 -0.401778D+00
      6   0.180371D+01 -0.120676D+01 -0.167650D+01  0.359646D+01 -0.963066D-01
               176           177           178           179           180 
      1  -0.370324D+01  0.444490D+01  0.742006D+01  0.643051D+01 -0.225803D+02
      2   0.176679D+01  0.768534D+00 -0.339407D+01  0.135070D+01 -0.100561D+02
      3   0.193645D+01 -0.521343D+01 -0.402599D+01 -0.778121D+01  0.326364D+02
      4  -0.485961D+01  0.192395D+01 -0.287267D+01  0.367778D+01 -0.718114D+01
      5   0.210328D+01 -0.768895D+01  0.584700D+01 -0.908239D+01  0.291389D+02
      6  -0.303657D+01  0.749715D+01  0.287688D+00  0.750634D+01 -0.151945D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.501813D+00      0.127548D+01      0.425455D+01
   x         -0.281616D+00     -0.715797D+00     -0.238764D+01
   y         -0.309910D+00     -0.787713D+00     -0.262753D+01
   z         -0.276521D+00     -0.702847D+00     -0.234445D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.993955D+02      0.147289D+02      0.163881D+02
   aniso      0.487170D+02      0.721911D+01      0.803234D+01
   xx         0.126371D+03      0.187263D+02      0.208358D+02
   yx         0.402625D+00      0.596629D-01      0.663839D-01
   yy         0.100540D+03      0.148985D+02      0.165768D+02
   zx         0.105230D+01      0.155934D+00      0.173500D+00
   zy         0.547514D+01      0.811332D+00      0.902728D+00
   zz         0.712755D+02      0.105619D+02      0.117517D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.104961D+03      0.155536D+02      0.173057D+02
   aniso      0.491365D+02      0.728128D+01      0.810151D+01
   xx         0.132042D+03      0.195666D+02      0.217708D+02
   yx         0.253159D+00      0.375143D-01      0.417403D-01
   yy         0.106230D+03      0.157416D+02      0.175149D+02
   zx         0.118362D+01      0.175394D+00      0.195152D+00
   zy         0.582821D+01      0.863652D+00      0.960942D+00
   zz         0.766105D+02      0.113525D+02      0.126314D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.79743201         -0.66319326         -3.68063204
     6         -0.06957318         -1.16592580         -1.90546131
     6          0.00085436         -0.02782729          0.47048632
     6          1.98025051          1.61507087          1.02844964
     6          3.84809531          2.12727537         -0.74599001
     6          3.76079408          0.98799709         -3.10985099
     6         -2.07648581         -0.48288379          2.38707606
     7         -2.88154853         -3.13309871          2.32361648
     6         -4.36773455          1.19509392          1.84617470
     1         -4.28360296         -3.43799186          3.59120548
     1         -1.32070315          0.06463380          4.24415736
     1         -5.15308018          0.74474300         -0.00557251
     1         -3.83379570          3.18485701          1.87046587
     1         -5.83731753          0.90308897          3.26829073
     1          2.06207774          2.49797152          2.87523312
     1          5.37539950          3.40560907         -0.27783445
     1          5.21640434          1.37545879         -4.49381304
     1          1.72110966         -1.56341910         -5.51666398
     1         -1.59074908         -2.46191844         -2.33501284
     1         -1.42670246         -4.29498573          2.77272661

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.501813D+00      0.127548D+01      0.425455D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.501813D+00      0.127548D+01      0.425455D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.993955D+02      0.147289D+02      0.163881D+02
   aniso      0.487170D+02      0.721911D+01      0.803234D+01
   xx         0.108018D+03      0.160066D+02      0.178098D+02
   yx         0.164280D+02      0.243438D+01      0.270861D+01
   yy         0.857230D+02      0.127028D+02      0.141338D+02
   zx        -0.183095D+02     -0.271318D+01     -0.301883D+01
   zy         0.652719D+01      0.967230D+00      0.107619D+01
   zz         0.104446D+03      0.154772D+02      0.172207D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.104961D+03      0.155536D+02      0.173057D+02
   aniso      0.491365D+02      0.728128D+01      0.810151D+01
   xx         0.113608D+03      0.168350D+02      0.187315D+02
   yx         0.167938D+02      0.248858D+01      0.276892D+01
   yy         0.910345D+02      0.134899D+02      0.150096D+02
   zx        -0.182062D+02     -0.269788D+01     -0.300179D+01
   zy         0.655824D+01      0.971830D+00      0.108131D+01
   zz         0.110240D+03      0.163358D+02      0.181761D+02

 ----------------------------------------------------------------------
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 TERRY FORSTER, PORTLY ATLANTA BRAVES RELIEVER,
 ANNOUNCING THAT HE WAS GOING TO A FAT FARM:
 "A WAIST IS A TERRIBLE THING TO MIND."
 Job cpu time:       0 days  2 hours 29 minutes 12.2 seconds.
 Elapsed time:       0 days  0 hours 18 minutes 42.6 seconds.
 File lengths (MBytes):  RWF=    264 Int=      0 D2E=      0 Chk=     10 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 22:04:54 2021.
